MiMeDB: Showing metabocard for N,N',N''-triacetylchitotriono-1,5-lactone (MMDBc0056160)

Record Information

Version

2.0

Status

Detected and Quantified

Creation Date

2022-06-17 20:18:28 UTC

Update Date

2025-10-07 16:09:36 UTC

Metabolite ID

MMDBc0056160

Metabolite Identification

Common Name

N,N',N''-triacetylchitotriono-1,5-lactone

Description

N,N',N''-triacetylchitotriono-1,5-lactone is a member of the class of lactones and is derived from chitin. There is limited literature available on this metabolite, indicating that further research may be needed to fully understand its properties and potential biological significance.

Structure

MOL SDF PDB SMILES InChI


  Mrv1652306172222182D          

 57 59  0  0  1  0            999 V2000
    6.4302   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.8579   -4.1250    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7145   -3.7125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2868   -4.9500    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.4289   -2.4750    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7145   -5.3625    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.4289   -1.6500    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.5724   -5.3625    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000   -4.9500    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.8579   -4.9500    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000   -4.1250    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2868   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.8875    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4289   -4.9500    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.0013   -5.3625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -2.8875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -6.1875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -4.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -6.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -6.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -5.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -5.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -4.5375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -5.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -5.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -5.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -4.5375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -4.5375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -4.5375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -5.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  7  1  1  4  0  0  0
  8  2  1  4  0  0  0
  9  3  1  4  0  0  0
 10  4  1  1  0  0  0
 11  5  1  1  0  0  0
 12  6  1  1  0  0  0
 16 10  1  0  0  0  0
 17 14  1  0  0  0  0
 17 16  1  0  0  0  0
 18 13  1  0  0  0  0
 19 15  1  0  0  0  0
 20 11  1  0  0  0  0
 20 18  1  0  0  0  0
 21 12  1  0  0  0  0
 21 19  1  0  0  0  0
 22 13  1  0  0  0  0
 23 14  1  0  0  0  0
 24 15  1  0  0  0  0
 25  7  2  0  0  0  0
 13 25  1  6  0  0  0
 26  8  2  0  0  0  0
 14 26  1  6  0  0  0
 27  9  2  0  0  0  0
 15 27  1  6  0  0  0
 28  4  1  0  0  0  0
 29  5  1  0  0  0  0
 30  6  1  0  0  0  0
 31  7  1  0  0  0  0
 32  8  1  0  0  0  0
 33  9  1  0  0  0  0
 16 34  1  6  0  0  0
 17 35  1  6  0  0  0
 18 36  1  1  0  0  0
 19 37  1  1  0  0  0
 38 22  2  0  0  0  0
 39 11  1  0  0  0  0
 39 22  1  0  0  0  0
 40 10  1  0  0  0  0
 40 23  1  0  0  0  0
 41 12  1  0  0  0  0
 41 24  1  0  0  0  0
 20 42  1  1  0  0  0
 24 42  1  1  0  0  0
 21 43  1  1  0  0  0
 23 43  1  1  0  0  0
 10 44  1  6  0  0  0
 11 45  1  6  0  0  0
 12 46  1  6  0  0  0
 13 47  1  1  0  0  0
 14 48  1  1  0  0  0
 15 49  1  1  0  0  0
 16 50  1  1  0  0  0
 17 51  1  6  0  0  0
 18 52  1  6  0  0  0
 19 53  1  6  0  0  0
 20 54  1  1  0  0  0
 21 55  1  1  0  0  0
 23 56  1  6  0  0  0
 24 57  1  6  0  0  0
M  END


  Mrv1652306172222182D          

 57 59  0  0  1  0            999 V2000
    6.4302   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.8579   -4.1250    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7145   -3.7125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2868   -4.9500    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.4289   -2.4750    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7145   -5.3625    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.4289   -1.6500    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.5724   -5.3625    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000   -4.9500    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.8579   -4.9500    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000   -4.1250    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2868   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.8875    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4289   -4.9500    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.0013   -5.3625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -2.8875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -6.1875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -4.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -6.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -6.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -5.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -5.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -4.5375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -5.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -5.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -5.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -4.5375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -4.5375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -4.5375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -5.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  7  1  1  4  0  0  0
  8  2  1  4  0  0  0
  9  3  1  4  0  0  0
 10  4  1  1  0  0  0
 11  5  1  1  0  0  0
 12  6  1  1  0  0  0
 16 10  1  0  0  0  0
 17 14  1  0  0  0  0
 17 16  1  0  0  0  0
 18 13  1  0  0  0  0
 19 15  1  0  0  0  0
 20 11  1  0  0  0  0
 20 18  1  0  0  0  0
 21 12  1  0  0  0  0
 21 19  1  0  0  0  0
 22 13  1  0  0  0  0
 23 14  1  0  0  0  0
 24 15  1  0  0  0  0
 25  7  2  0  0  0  0
 13 25  1  6  0  0  0
 26  8  2  0  0  0  0
 14 26  1  6  0  0  0
 27  9  2  0  0  0  0
 15 27  1  6  0  0  0
 28  4  1  0  0  0  0
 29  5  1  0  0  0  0
 30  6  1  0  0  0  0
 31  7  1  0  0  0  0
 32  8  1  0  0  0  0
 33  9  1  0  0  0  0
 16 34  1  6  0  0  0
 17 35  1  6  0  0  0
 18 36  1  1  0  0  0
 19 37  1  1  0  0  0
 38 22  2  0  0  0  0
 39 11  1  0  0  0  0
 39 22  1  0  0  0  0
 40 10  1  0  0  0  0
 40 23  1  0  0  0  0
 41 12  1  0  0  0  0
 41 24  1  0  0  0  0
 20 42  1  1  0  0  0
 24 42  1  1  0  0  0
 21 43  1  1  0  0  0
 23 43  1  1  0  0  0
 10 44  1  6  0  0  0
 11 45  1  6  0  0  0
 12 46  1  6  0  0  0
 13 47  1  1  0  0  0
 14 48  1  1  0  0  0
 15 49  1  1  0  0  0
 16 50  1  1  0  0  0
 17 51  1  6  0  0  0
 18 52  1  6  0  0  0
 19 53  1  6  0  0  0
 20 54  1  1  0  0  0
 21 55  1  1  0  0  0
 23 56  1  6  0  0  0
 24 57  1  6  0  0  0
M  END
> <DATABASE_ID>
MMDBc0056160

> <DATABASE_NAME>
MIME

> <SMILES>
[H][C@]1(CO)OC(=O)[C@]([H])(N=C(C)O)[C@@]([H])(O)[C@]1([H])O[C@]1([H])O[C@]([H])(CO)[C@@]([H])(O[C@]2([H])O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]2([H])N=C(C)O)[C@]([H])(O)[C@@]1([H])N=C(C)O

> <INCHI_IDENTIFIER>
InChI=1S/C24H39N3O16/c1-7(31)25-13-18(36)20(11(5-29)39-22(13)38)42-24-15(27-9(3)33)19(37)21(12(6-30)41-24)43-23-14(26-8(2)32)17(35)16(34)10(4-28)40-23/h10-21,23-24,28-30,34-37H,4-6H2,1-3H3,(H,25,31)(H,26,32)(H,27,33)/t10-,11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21-,23+,24+/m1/s1

> <INCHI_KEY>
YCSSMHRQBYJXHJ-XUQOLGQRSA-N

> <FORMULA>
C24H39N3O16

> <MOLECULAR_WEIGHT>
625.581

> <EXACT_MASS>
625.233032188

> <JCHEM_ACCEPTOR_COUNT>
18

> <JCHEM_ATOM_COUNT>
82

> <JCHEM_AVERAGE_POLARIZABILITY>
60.241227986596314

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
10

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
N-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-2-{[(2R,3S,4R,5R,6S)-4-hydroxy-6-{[(2R,3S,4R,5R)-4-hydroxy-5-[(1-hydroxyethylidene)amino]-2-(hydroxymethyl)-6-oxooxan-3-yl]oxy}-5-[(1-hydroxyethylidene)amino]-2-(hydroxymethyl)oxan-3-yl]oxy}-6-(hydroxymethyl)oxan-3-yl]ethanimidic acid

> <JCHEM_LOGP>
-4.692237677333334

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
5.481990544862211

> <JCHEM_PKA_STRONGEST_ACIDIC>
5.000276654407446

> <JCHEM_PKA_STRONGEST_BASIC>
1.330427058661212

> <JCHEM_POLAR_SURFACE_AREA>
302.6000000000001

> <JCHEM_REFRACTIVITY>
134.47439999999995

> <JCHEM_ROTATABLE_BOND_COUNT>
10

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
N-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-2-{[(2R,3S,4R,5R,6S)-4-hydroxy-6-{[(2R,3S,4R,5R)-4-hydroxy-5-[(1-hydroxyethylidene)amino]-2-(hydroxymethyl)-6-oxooxan-3-yl]oxy}-5-[(1-hydroxyethylidene)amino]-2-(hydroxymethyl)oxan-3-yl]oxy}-6-(hydroxymethyl)oxan-3-yl]ethanimidic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 17-JUN-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   17-JUN-22         0                                  
HETATM    1  C   UNK     0      12.003 -10.010   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -6.668  -5.390   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       2.667 -13.860   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       1.334  -2.310   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       4.001  -6.930   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       1.334  -5.390   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      10.669  -9.240   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -5.335  -4.620   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       2.667 -12.320   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       0.000  -3.080   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       5.335  -7.700   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       1.334  -6.930   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       8.002  -9.240   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -2.667  -4.620   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       1.334 -10.010   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      -1.334  -2.310   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      -2.667  -3.080   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       6.668 -10.010   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       0.000  -9.240   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       5.335  -9.240   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       0.000  -7.700   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       8.002  -7.700   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      -1.334  -5.390   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       2.667  -9.240   0.000  0.00  0.00           C+0
HETATM   25  N   UNK     0       9.336 -10.010   0.000  0.00  0.00           N+0
HETATM   26  N   UNK     0      -4.001  -5.390   0.000  0.00  0.00           N+0
HETATM   27  N   UNK     0       1.334 -11.550   0.000  0.00  0.00           N+0
HETATM   28  O   UNK     0       2.667  -3.080   0.000  0.00  0.00           O+0
HETATM   29  O   UNK     0       4.001  -5.390   0.000  0.00  0.00           O+0
HETATM   30  O   UNK     0       2.667  -4.620   0.000  0.00  0.00           O+0
HETATM   31  O   UNK     0      10.669  -7.700   0.000  0.00  0.00           O+0
HETATM   32  O   UNK     0      -5.335  -3.080   0.000  0.00  0.00           O+0
HETATM   33  O   UNK     0       4.001 -11.550   0.000  0.00  0.00           O+0
HETATM   34  O   UNK     0      -1.334  -0.770   0.000  0.00  0.00           O+0
HETATM   35  O   UNK     0      -4.001  -2.310   0.000  0.00  0.00           O+0
HETATM   36  O   UNK     0       6.668 -11.550   0.000  0.00  0.00           O+0
HETATM   37  O   UNK     0      -1.334 -10.010   0.000  0.00  0.00           O+0
HETATM   38  O   UNK     0       9.336  -6.930   0.000  0.00  0.00           O+0
HETATM   39  O   UNK     0       6.668  -6.930   0.000  0.00  0.00           O+0
HETATM   40  O   UNK     0       0.000  -4.620   0.000  0.00  0.00           O+0
HETATM   41  O   UNK     0       2.667  -7.700   0.000  0.00  0.00           O+0
HETATM   42  O   UNK     0       4.001 -10.010   0.000  0.00  0.00           O+0
HETATM   43  O   UNK     0      -1.334  -6.930   0.000  0.00  0.00           O+0
HETATM   44  H   UNK     0       0.000  -1.540   0.000  0.00  0.00           H+0
HETATM   45  H   UNK     0       4.001  -8.470   0.000  0.00  0.00           H+0
HETATM   46  H   UNK     0       0.000  -6.160   0.000  0.00  0.00           H+0
HETATM   47  H   UNK     0       8.002 -10.780   0.000  0.00  0.00           H+0
HETATM   48  H   UNK     0      -4.001  -3.850   0.000  0.00  0.00           H+0
HETATM   49  H   UNK     0       0.000 -10.780   0.000  0.00  0.00           H+0
HETATM   50  H   UNK     0      -2.667  -1.540   0.000  0.00  0.00           H+0
HETATM   51  H   UNK     0      -1.334  -3.850   0.000  0.00  0.00           H+0
HETATM   52  H   UNK     0       5.335 -10.780   0.000  0.00  0.00           H+0
HETATM   53  H   UNK     0      -1.334  -8.470   0.000  0.00  0.00           H+0
HETATM   54  H   UNK     0       6.668  -8.470   0.000  0.00  0.00           H+0
HETATM   55  H   UNK     0       1.334  -8.470   0.000  0.00  0.00           H+0
HETATM   56  H   UNK     0      -2.667  -6.160   0.000  0.00  0.00           H+0
HETATM   57  H   UNK     0       2.667 -10.780   0.000  0.00  0.00           H+0
CONECT    1    7                                                            
CONECT    2    8                                                            
CONECT    3    9                                                            
CONECT    4   10   28                                                       
CONECT    5   11   29                                                       
CONECT    6   12   30                                                       
CONECT    7    1   25   31                                                  
CONECT    8    2   26   32                                                  
CONECT    9    3   27   33                                                  
CONECT   10    4   16   40   44                                             
CONECT   11    5   20   39   45                                             
CONECT   12    6   21   41   46                                             
CONECT   13   18   22   25   47                                             
CONECT   14   17   23   26   48                                             
CONECT   15   19   24   27   49                                             
CONECT   16   10   17   34   50                                             
CONECT   17   14   16   35   51                                             
CONECT   18   13   20   36   52                                             
CONECT   19   15   21   37   53                                             
CONECT   20   11   18   42   54                                             
CONECT   21   12   19   43   55                                             
CONECT   22   13   38   39                                                  
CONECT   23   14   40   43   56                                             
CONECT   24   15   41   42   57                                             
CONECT   25    7   13                                                       
CONECT   26    8   14                                                       
CONECT   27    9   15                                                       
CONECT   28    4                                                            
CONECT   29    5                                                            
CONECT   30    6                                                            
CONECT   31    7                                                            
CONECT   32    8                                                            
CONECT   33    9                                                            
CONECT   34   16                                                            
CONECT   35   17                                                            
CONECT   36   18                                                            
CONECT   37   19                                                            
CONECT   38   22                                                            
CONECT   39   11   22                                                       
CONECT   40   10   23                                                       
CONECT   41   12   24                                                       
CONECT   42   20   24                                                       
CONECT   43   21   23                                                       
CONECT   44   10                                                            
CONECT   45   11                                                            
CONECT   46   12                                                            
CONECT   47   13                                                            
CONECT   48   14                                                            
CONECT   49   15                                                            
CONECT   50   16                                                            
CONECT   51   17                                                            
CONECT   52   18                                                            
CONECT   53   19                                                            
CONECT   54   20                                                            
CONECT   55   21                                                            
CONECT   56   23                                                            
CONECT   57   24                                                            
MASTER        0    0    0    0    0    0    0    0   57    0  118    0
END

Synonyms

Not Available

Molecular Formula

C₂₄H₃₉N₃O₁₆

Average Mass

625.581

Monoisotopic Mass

625.233032188

IUPAC Name

N-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-2-{[(2R,3S,4R,5R,6S)-4-hydroxy-6-{[(2R,3S,4R,5R)-4-hydroxy-5-[(1-hydroxyethylidene)amino]-2-(hydroxymethyl)-6-oxooxan-3-yl]oxy}-5-[(1-hydroxyethylidene)amino]-2-(hydroxymethyl)oxan-3-yl]oxy}-6-(hydroxymethyl)oxan-3-yl]ethanimidic acid

Traditional Name

CAS Registry Number

Not Available

SMILES

[H][C@]1(CO)OC(=O)[C@]([H])(N=C(C)O)[C@@]([H])(O)[C@]1([H])O[C@]1([H])O[C@]([H])(CO)[C@@]([H])(O[C@]2([H])O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]2([H])N=C(C)O)[C@]([H])(O)[C@@]1([H])N=C(C)O

InChI Identifier

InChI=1S/C24H39N3O16/c1-7(31)25-13-18(36)20(11(5-29)39-22(13)38)42-24-15(27-9(3)33)19(37)21(12(6-30)41-24)43-23-14(26-8(2)32)17(35)16(34)10(4-28)40-23/h10-21,23-24,28-30,34-37H,4-6H2,1-3H3,(H,25,31)(H,26,32)(H,27,33)/t10-,11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21-,23+,24+/m1/s1

InChI Key

YCSSMHRQBYJXHJ-XUQOLGQRSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as n-acyl-alpha-hexosamines. These are carbohydrate derivatives containing a hexose moiety in which the oxygen atom is replaced by an n-acyl group.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbohydrates and carbohydrate conjugates

Direct Parent

N-acyl-alpha-hexosamines

Alternative Parents

Substituents

N-acyl-alpha-hexosamine
N-acyl-alpha amino acid or derivatives
Alpha-amino acid ester
O-glycosyl compound
Glycosyl compound
Disaccharide
Alpha-amino acid or derivatives
Delta_valerolactone
Delta valerolactone
Oxane
Acetamide
Secondary carboxylic acid amide
Secondary alcohol
Lactone
Carboxylic acid ester
Carboxamide group
Oxacycle
Organoheterocyclic compound
Monocarboxylic acid or derivatives
Carboxylic acid derivative
Acetal
Organic nitrogen compound
Organopnictogen compound
Organic oxide
Hydrocarbon derivative
Primary alcohol
Organonitrogen compound
Carbonyl group
Alcohol
Aliphatic heteromonocyclic compound

Molecular Framework

Aliphatic heteromonocyclic compounds

External Descriptors

Not Available

Functional Ontology

Not Available

Physical Properties

State

Expected Solid

Predicted Properties

Property	Value	Source
logP	-4.7	ChemAxon
pKa (Strongest Acidic)	5	ChemAxon
pKa (Strongest Basic)	1.33	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	18	ChemAxon
Hydrogen Donor Count	10	ChemAxon
Polar Surface Area	302.6 Å²	ChemAxon
Rotatable Bond Count	10	ChemAxon
Refractivity	134.47 m³·mol⁻¹	ChemAxon
Polarizability	60.24 Å³	ChemAxon
Number of Rings	3	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	ChemAxon

Spectra

Spectrum Type	Description	Splash Key	Deposition Date	View
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_3_111) - 70eV, Positive	Not Available	2022-08-08	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	Not Available	2022-08-10	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	Not Available	2022-08-10	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	Not Available	2022-08-10	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	Not Available	2022-08-10	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	Not Available	2022-08-10	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	Not Available	2022-08-10	View Spectrum
MS	Mass Spectrum (Electron Ionization)	Not Available	2022-08-06	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 100 MHz, H₂O, predicted)		2022-08-18	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, H₂O, predicted)		2022-08-18	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, H₂O, predicted)		2022-08-18	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, H₂O, predicted)		2022-08-18	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 200 MHz, H₂O, predicted)		2022-08-18	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, H₂O, predicted)		2022-08-18	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 300 MHz, H₂O, predicted)		2022-08-18	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, H₂O, predicted)		2022-08-18	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 400 MHz, H₂O, predicted)		2022-08-18	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, H₂O, predicted)		2022-08-18	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 500 MHz, H₂O, predicted)		2022-08-18	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, H₂O, predicted)		2022-08-18	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 600 MHz, H₂O, predicted)		2022-08-18	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, H₂O, predicted)		2022-08-18	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 700 MHz, H₂O, predicted)		2022-08-18	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, H₂O, predicted)		2022-08-18	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 800 MHz, H₂O, predicted)		2022-08-18	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, H₂O, predicted)		2022-08-18	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 900 MHz, H₂O, predicted)		2022-08-18	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, H₂O, predicted)		2022-08-18	View Spectrum

Chromatographic Retention Times and Retention Indices

Retention Times

Chromatography Type	Technique	Column	Deposition Date	Retention Time (s)
Liquid Chromatography	HILIC	Waters Acquity UPLC-BEH Amide column (eluted)	2025-10-24	615.9
Liquid Chromatography	HILIC	Accucore 150 Amide HILIC (eluted)	2025-10-24	518.6
Liquid Chromatography	Reversed-phase	Hypersil Gold 1.9 µm C18 (eluted)	2025-10-24	130.4
Liquid Chromatography	Reversed-phase	Agilent Zorbax Eclipse Plus C18 (2.1 mm x 150 mm, 3.5 um) (eluted)	2025-10-24	319.5
Liquid Chromatography	Reversed-phase	XBridge C18 3.5u 2.1x50 mm (eluted)	2025-10-24	371.6
Liquid Chromatography	Reversed-phase	Ascentis Express C18 (void)	2025-10-24	237.3
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (eluted)	2025-10-24	689.9
Liquid Chromatography	HILIC	Merck SeQuant ZIC-HILIC (eluted)	2025-10-24	937.4
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC (eluted)	2025-10-24	480.4
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (eluted)	2025-10-24	174.6
Liquid Chromatography	HILIC	Merck SeQuant ZIC-HILIC (eluted)	2025-10-24	509.2
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (eluted)	2025-10-24	200.3
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (eluted)	2025-10-24	53.5
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC column (eluted)	2025-10-24	479.4
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC column (eluted)	2025-10-24	531.6
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (void)	2025-10-24	74.5
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (eluted)	2025-10-24	400.5
Liquid Chromatography	Reversed-phase	Kinetex Core-Shell C18 2.6 um, 3.0 x 100 mm, Phenomenex (eluted)	2025-10-24	861.8
Liquid Chromatography	Reversed-phase	Waters Atlantis T3 (2.1 x 150 mm, 5 um) (eluted)	2025-10-24	674.8

Retention Indices

Chromatography Type	Peak Label	SMILES	Stationary Phase	Deposition Date	Retention Index
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_1	CC(O)=N[C@H]1C(=O)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3N=C(C)O)[C@H](O)[C@H]2N=C(C)O)[C@@H]1O	standard non polar	2025-10-24	1209.63
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_2	CC(O)=N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)OC(=O)[C@H](N=C(C)O[Si](C)(C)C)[C@H]3O)[C@H](N=C(C)O)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O	standard non polar	2025-10-24	2865.13
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_3	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3N=C(C)O)[C@H](O)[C@H]2N=C(C)O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	2992.23
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_4	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3N=C(C)O)[C@H](O)[C@H]2N=C(C)O)[C@@H]1O	standard non polar	2025-10-24	2682.62
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_5	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]3N=C(C)O)[C@H](O)[C@H]2N=C(C)O)[C@@H]1O	standard non polar	2025-10-24	1545.81
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_6	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3N=C(C)O)[C@H](O)[C@H]2N=C(C)O)[C@@H]1O	standard non polar	2025-10-24	2246.95
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_7	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3N=C(C)O)[C@H](O)[C@H]2N=C(C)O)[C@@H]1O	standard non polar	2025-10-24	2001.68
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_8	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3N=C(C)O[Si](C)(C)C)[C@H](O)[C@H]2N=C(C)O)[C@@H]1O	standard non polar	2025-10-24	2512.22
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_9	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3N=C(C)O)[C@H](O[Si](C)(C)C)[C@H]2N=C(C)O)[C@@H]1O	standard non polar	2025-10-24	2238.52
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_10	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3N=C(C)O)[C@H](O)[C@H]2N=C(C)O[Si](C)(C)C)[C@@H]1O	standard non polar	2025-10-24	1297.39
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_11	CC(O)=N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO[Si](C)(C)C)OC(=O)[C@H](N=C(C)O[Si](C)(C)C)[C@H]3O)[C@H](N=C(C)O)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O	standard non polar	2025-10-24	2179.6
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_12	CC(O)=N[C@H]1C(=O)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3N=C(C)O)[C@H](O)[C@H]2N=C(C)O)[C@@H]1O	standard non polar	2025-10-24	1485.51
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_13	CC(O)=N[C@H]1C(=O)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]3N=C(C)O)[C@H](O)[C@H]2N=C(C)O)[C@@H]1O	standard non polar	2025-10-24	2507.95
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_14	CC(O)=N[C@H]1C(=O)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3N=C(C)O)[C@H](O)[C@H]2N=C(C)O)[C@@H]1O	standard non polar	2025-10-24	1386.76
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_15	CC(O)=N[C@H]1C(=O)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3N=C(C)O)[C@H](O)[C@H]2N=C(C)O)[C@@H]1O	standard non polar	2025-10-24	801.314
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_16	CC(O)=N[C@H]1C(=O)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3N=C(C)O[Si](C)(C)C)[C@H](O)[C@H]2N=C(C)O)[C@@H]1O	standard non polar	2025-10-24	2178.98
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_17	CC(O)=N[C@H]1C(=O)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3N=C(C)O)[C@H](O[Si](C)(C)C)[C@H]2N=C(C)O)[C@@H]1O	standard non polar	2025-10-24	3393.0
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_18	CC(O)=N[C@H]1C(=O)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3N=C(C)O)[C@H](O)[C@H]2N=C(C)O[Si](C)(C)C)[C@@H]1O	standard non polar	2025-10-24	1463.56
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_19	CC(O)=N[C@H]1C(=O)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3N=C(C)O)[C@H](O)[C@H]2N=C(C)O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	976.754
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_20	CC(O)=N[C@H]1[C@H](O[C@@H]2[C@@H](CO)OC(=O)[C@H](N=C(C)O[Si](C)(C)C)[C@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N=C(C)O[Si](C)(C)C)[C@@H]1O	standard non polar	2025-10-24	1606.51
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_21	CC(O)=N[C@H]1[C@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)O[C@@H](O[C@@H]3[C@@H](CO)OC(=O)[C@H](N=C(C)O[Si](C)(C)C)[C@H]3O)[C@H](N=C(C)O)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O	standard non polar	2025-10-24	1320.91
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_22	CC(O)=N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)OC(=O)[C@H](N=C(C)O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)[C@H](N=C(C)O)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O	standard non polar	2025-10-24	1596.91
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_23	CC(O)=N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)OC(=O)[C@H](N=C(C)O[Si](C)(C)C)[C@H]3O)[C@H](N=C(C)O[Si](C)(C)C)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O	standard non polar	2025-10-24	3581.09
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_24	CC(O)=N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)OC(=O)[C@H](N=C(C)O[Si](C)(C)C)[C@H]3O)[C@H](N=C(C)O)[C@H]2O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O	standard non polar	2025-10-24	3007.71
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_25	CC(O)=N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)OC(=O)[C@H](N=C(C)O[Si](C)(C)C)[C@H]3O)[C@H](N=C(C)O)[C@H]2O)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O	standard non polar	2025-10-24	1440.3
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_26	CC(O)=N[C@H]1[C@H](O[C@@H]2[C@@H](CO)OC(=O)[C@H](N=C(C)O[Si](C)(C)C)[C@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2N=C(C)O)[C@@H]1O	standard non polar	2025-10-24	2197.0
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_27	CC(O)=N[C@H]1[C@H](O[C@@H]2[C@@H](CO)OC(=O)[C@H](N=C(C)O[Si](C)(C)C)[C@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2N=C(C)O)[C@@H]1O	standard non polar	2025-10-24	2089.42
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_28	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3N=C(C)O)[C@H](O)[C@H]2N=C(C)O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	725.942
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_29	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]3N=C(C)O)[C@H](O)[C@H]2N=C(C)O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	2209.31
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_30	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3N=C(C)O)[C@H](O)[C@H]2N=C(C)O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1441.76
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_31	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3N=C(C)O)[C@H](O)[C@H]2N=C(C)O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	2400.83
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_32	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3N=C(C)O[Si](C)(C)C)[C@H](O)[C@H]2N=C(C)O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1735.76
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_33	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3N=C(C)O)[C@H](O[Si](C)(C)C)[C@H]2N=C(C)O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	2450.71
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_34	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3N=C(C)O)[C@H](O)[C@H]2N=C(C)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1610.86
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_35	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]3N=C(C)O)[C@H](O)[C@H]2N=C(C)O)[C@@H]1O	standard non polar	2025-10-24	1821.44
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_36	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3N=C(C)O)[C@H](O)[C@H]2N=C(C)O)[C@@H]1O	standard non polar	2025-10-24	1751.25
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_37	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3N=C(C)O)[C@H](O)[C@H]2N=C(C)O)[C@@H]1O	standard non polar	2025-10-24	1731.82
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_38	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3N=C(C)O[Si](C)(C)C)[C@H](O)[C@H]2N=C(C)O)[C@@H]1O	standard non polar	2025-10-24	1608.93
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_39	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3N=C(C)O)[C@H](O[Si](C)(C)C)[C@H]2N=C(C)O)[C@@H]1O	standard non polar	2025-10-24	1088.43
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_40	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3N=C(C)O)[C@H](O)[C@H]2N=C(C)O[Si](C)(C)C)[C@@H]1O	standard non polar	2025-10-24	2791.05
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_41	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3N=C(C)O)[C@H](O)[C@H]2N=C(C)O)[C@@H]1O	standard non polar	2025-10-24	1920.24
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_42	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3N=C(C)O)[C@H](O)[C@H]2N=C(C)O)[C@@H]1O	standard non polar	2025-10-24	2792.19
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_43	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]3N=C(C)O[Si](C)(C)C)[C@H](O)[C@H]2N=C(C)O)[C@@H]1O	standard non polar	2025-10-24	1395.14
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_44	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]3N=C(C)O)[C@H](O[Si](C)(C)C)[C@H]2N=C(C)O)[C@@H]1O	standard non polar	2025-10-24	2450.58
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_45	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]3N=C(C)O)[C@H](O)[C@H]2N=C(C)O[Si](C)(C)C)[C@@H]1O	standard non polar	2025-10-24	2772.73
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_46	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]3N=C(C)O)[C@H](O)[C@H]2N=C(C)O)[C@@H]1O	standard non polar	2025-10-24	3636.35
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_47	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3N=C(C)O[Si](C)(C)C)[C@H](O)[C@H]2N=C(C)O)[C@@H]1O	standard non polar	2025-10-24	3046.95
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_48	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3N=C(C)O)[C@H](O[Si](C)(C)C)[C@H]2N=C(C)O)[C@@H]1O	standard non polar	2025-10-24	1735.34
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_49	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3N=C(C)O)[C@H](O)[C@H]2N=C(C)O[Si](C)(C)C)[C@@H]1O	standard non polar	2025-10-24	3108.24
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_50	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3N=C(C)O[Si](C)(C)C)[C@H](O)[C@H]2N=C(C)O)[C@@H]1O	standard non polar	2025-10-24	1548.39
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_51	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3N=C(C)O)[C@H](O[Si](C)(C)C)[C@H]2N=C(C)O)[C@@H]1O	standard non polar	2025-10-24	2404.1
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_52	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3N=C(C)O)[C@H](O)[C@H]2N=C(C)O[Si](C)(C)C)[C@@H]1O	standard non polar	2025-10-24	1381.09
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_53	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3N=C(C)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2N=C(C)O)[C@@H]1O	standard non polar	2025-10-24	1457.95
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_54	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3N=C(C)O[Si](C)(C)C)[C@H](O)[C@H]2N=C(C)O[Si](C)(C)C)[C@@H]1O	standard non polar	2025-10-24	1564.76
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_55	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3N=C(C)O)[C@H](O[Si](C)(C)C)[C@H]2N=C(C)O[Si](C)(C)C)[C@@H]1O	standard non polar	2025-10-24	1757.61
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_56	CC(O)=N[C@H]1[C@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)OC(=O)[C@H](N=C(C)O[Si](C)(C)C)[C@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N=C(C)O[Si](C)(C)C)[C@@H]1O	standard non polar	2025-10-24	2176.72
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_57	CC(O)=N[C@H]1[C@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)O[C@@H](O[C@@H]3[C@@H](CO[Si](C)(C)C)OC(=O)[C@H](N=C(C)O[Si](C)(C)C)[C@H]3O)[C@H](N=C(C)O)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O	standard non polar	2025-10-24	750.723
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_58	CC(O)=N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO[Si](C)(C)C)OC(=O)[C@H](N=C(C)O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)[C@H](N=C(C)O)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O	standard non polar	2025-10-24	2657.25
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_59	CC(O)=N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO[Si](C)(C)C)OC(=O)[C@H](N=C(C)O[Si](C)(C)C)[C@H]3O)[C@H](N=C(C)O[Si](C)(C)C)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O	standard non polar	2025-10-24	2421.4
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_60	CC(O)=N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO[Si](C)(C)C)OC(=O)[C@H](N=C(C)O[Si](C)(C)C)[C@H]3O)[C@H](N=C(C)O)[C@H]2O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O	standard non polar	2025-10-24	1126.97
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_61	CC(O)=N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO[Si](C)(C)C)OC(=O)[C@H](N=C(C)O[Si](C)(C)C)[C@H]3O)[C@H](N=C(C)O)[C@H]2O)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O	standard non polar	2025-10-24	1884.51
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_62	CC(O)=N[C@H]1[C@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)OC(=O)[C@H](N=C(C)O[Si](C)(C)C)[C@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2N=C(C)O)[C@@H]1O	standard non polar	2025-10-24	2908.23
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_63	CC(O)=N[C@H]1[C@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)OC(=O)[C@H](N=C(C)O[Si](C)(C)C)[C@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2N=C(C)O)[C@@H]1O	standard non polar	2025-10-24	1324.23
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_64	CC(O)=N[C@H]1C(=O)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]3N=C(C)O)[C@H](O)[C@H]2N=C(C)O)[C@@H]1O	standard non polar	2025-10-24	1177.46
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_65	CC(O)=N[C@H]1C(=O)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3N=C(C)O)[C@H](O)[C@H]2N=C(C)O)[C@@H]1O	standard non polar	2025-10-24	1753.82
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_66	CC(O)=N[C@H]1C(=O)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3N=C(C)O)[C@H](O)[C@H]2N=C(C)O)[C@@H]1O	standard non polar	2025-10-24	2745.63
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_67	CC(O)=N[C@H]1C(=O)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3N=C(C)O[Si](C)(C)C)[C@H](O)[C@H]2N=C(C)O)[C@@H]1O	standard non polar	2025-10-24	2202.01
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_68	CC(O)=N[C@H]1C(=O)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3N=C(C)O)[C@H](O[Si](C)(C)C)[C@H]2N=C(C)O)[C@@H]1O	standard non polar	2025-10-24	2825.52
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_69	CC(O)=N[C@H]1C(=O)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3N=C(C)O)[C@H](O)[C@H]2N=C(C)O[Si](C)(C)C)[C@@H]1O	standard non polar	2025-10-24	2977.5
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_70	CC(O)=N[C@H]1C(=O)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3N=C(C)O)[C@H](O)[C@H]2N=C(C)O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1211.44
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_71	CC(O)=N[C@H]1C(=O)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3N=C(C)O)[C@H](O)[C@H]2N=C(C)O)[C@@H]1O	standard non polar	2025-10-24	2237.29
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_72	CC(O)=N[C@H]1C(=O)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3N=C(C)O)[C@H](O)[C@H]2N=C(C)O)[C@@H]1O	standard non polar	2025-10-24	2023.77
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_73	CC(O)=N[C@H]1C(=O)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]3N=C(C)O[Si](C)(C)C)[C@H](O)[C@H]2N=C(C)O)[C@@H]1O	standard non polar	2025-10-24	1713.95
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_74	CC(O)=N[C@H]1C(=O)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]3N=C(C)O)[C@H](O[Si](C)(C)C)[C@H]2N=C(C)O)[C@@H]1O	standard non polar	2025-10-24	1565.21
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_75	CC(O)=N[C@H]1C(=O)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]3N=C(C)O)[C@H](O)[C@H]2N=C(C)O[Si](C)(C)C)[C@@H]1O	standard non polar	2025-10-24	3837.42
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_76	CC(O)=N[C@H]1C(=O)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]3N=C(C)O)[C@H](O)[C@H]2N=C(C)O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1232.22
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_77	CC(O)=N[C@H]1C(=O)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]3N=C(C)O)[C@H](O)[C@H]2N=C(C)O)[C@@H]1O	standard non polar	2025-10-24	2607.4
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_78	CC(O)=N[C@H]1C(=O)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3N=C(C)O[Si](C)(C)C)[C@H](O)[C@H]2N=C(C)O)[C@@H]1O	standard non polar	2025-10-24	407.602
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_79	CC(O)=N[C@H]1C(=O)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3N=C(C)O)[C@H](O[Si](C)(C)C)[C@H]2N=C(C)O)[C@@H]1O	standard non polar	2025-10-24	1136.06
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_80	CC(O)=N[C@H]1C(=O)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3N=C(C)O)[C@H](O)[C@H]2N=C(C)O[Si](C)(C)C)[C@@H]1O	standard non polar	2025-10-24	1219.05
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_81	CC(O)=N[C@H]1C(=O)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3N=C(C)O)[C@H](O)[C@H]2N=C(C)O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1320.19
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_82	CC(O)=N[C@H]1C(=O)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3N=C(C)O[Si](C)(C)C)[C@H](O)[C@H]2N=C(C)O)[C@@H]1O	standard non polar	2025-10-24	1022.38
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_83	CC(O)=N[C@H]1C(=O)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3N=C(C)O)[C@H](O[Si](C)(C)C)[C@H]2N=C(C)O)[C@@H]1O	standard non polar	2025-10-24	2327.49
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_84	CC(O)=N[C@H]1C(=O)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3N=C(C)O)[C@H](O)[C@H]2N=C(C)O[Si](C)(C)C)[C@@H]1O	standard non polar	2025-10-24	1624.49
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_85	CC(O)=N[C@H]1C(=O)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3N=C(C)O)[C@H](O)[C@H]2N=C(C)O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	2579.06
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_86	CC(O)=N[C@H]1C(=O)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3N=C(C)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2N=C(C)O)[C@@H]1O	standard non polar	2025-10-24	1513.42
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_87	CC(O)=N[C@H]1C(=O)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3N=C(C)O[Si](C)(C)C)[C@H](O)[C@H]2N=C(C)O[Si](C)(C)C)[C@@H]1O	standard non polar	2025-10-24	1542.95
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_88	CC(O)=N[C@H]1C(=O)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3N=C(C)O[Si](C)(C)C)[C@H](O)[C@H]2N=C(C)O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	2477.61
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_89	CC(O)=N[C@H]1C(=O)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3N=C(C)O)[C@H](O[Si](C)(C)C)[C@H]2N=C(C)O[Si](C)(C)C)[C@@H]1O	standard non polar	2025-10-24	739.672
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_90	CC(O)=N[C@H]1C(=O)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3N=C(C)O)[C@H](O[Si](C)(C)C)[C@H]2N=C(C)O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	2052.6
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_91	CC(O)=N[C@H]1C(=O)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3N=C(C)O)[C@H](O)[C@H]2N=C(C)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1484.22
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_92	CC(=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3N=C(C)O[Si](C)(C)C)[C@H](O)[C@H]2N=C(C)O[Si](C)(C)C)[C@@H]1O)O[Si](C)(C)C	standard non polar	2025-10-24	1348.43
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_93	CC(O)=N[C@H]1[C@H](O[C@@H]2[C@@H](CO)OC(=O)[C@H](N=C(C)O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N=C(C)O[Si](C)(C)C)[C@@H]1O	standard non polar	2025-10-24	2662.56
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_94	CC(O)=N[C@H]1[C@H](O[C@@H]2[C@@H](CO)OC(=O)[C@H](N=C(C)O[Si](C)(C)C)[C@H]2O)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N=C(C)O[Si](C)(C)C)[C@@H]1O	standard non polar	2025-10-24	1801.32
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_95	CC(O)=N[C@H]1[C@H](O[C@@H]2[C@@H](CO)OC(=O)[C@H](N=C(C)O[Si](C)(C)C)[C@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]2N=C(C)O[Si](C)(C)C)[C@@H]1O	standard non polar	2025-10-24	1633.09
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_96	CC(O)=N[C@H]1[C@H](O[C@@H]2[C@@H](CO)OC(=O)[C@H](N=C(C)O[Si](C)(C)C)[C@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2N=C(C)O[Si](C)(C)C)[C@@H]1O	standard non polar	2025-10-24	1141.98
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_97	CC(O)=N[C@H]1[C@H](O[C@@H]2[C@@H](CO)OC(=O)[C@H](N=C(C)O[Si](C)(C)C)[C@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2N=C(C)O[Si](C)(C)C)[C@@H]1O	standard non polar	2025-10-24	1599.48
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_98	CC(O)=N[C@H]1[C@H](O[C@@H]2[C@@H](CO)OC(=O)[C@H](N=C(C)O[Si](C)(C)C)[C@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N=C(C)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1712.51
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_99	CC(O)=N[C@H]1[C@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)O[C@@H](O[C@@H]3[C@@H](CO)OC(=O)[C@H](N=C(C)O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)[C@H](N=C(C)O)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O	standard non polar	2025-10-24	1636.13
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_100	CC(O)=N[C@H]1[C@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)O[C@@H](O[C@@H]3[C@@H](CO)OC(=O)[C@H](N=C(C)O[Si](C)(C)C)[C@H]3O)[C@H](N=C(C)O[Si](C)(C)C)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O	standard non polar	2025-10-24	1113.41
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_101	CC(O)=N[C@H]1[C@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)O[C@@H](O[C@@H]3[C@@H](CO)OC(=O)[C@H](N=C(C)O[Si](C)(C)C)[C@H]3O)[C@H](N=C(C)O)[C@H]2O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O	standard non polar	2025-10-24	521.237
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_102	CC(O)=N[C@H]1[C@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)O[C@@H](O[C@@H]3[C@@H](CO)OC(=O)[C@H](N=C(C)O[Si](C)(C)C)[C@H]3O)[C@H](N=C(C)O)[C@H]2O)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O	standard non polar	2025-10-24	1145.71
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_103	CC(O)=N[C@H]1[C@H](O[C@@H]2[C@@H](CO)OC(=O)[C@H](N=C(C)O[Si](C)(C)C)[C@H]2O)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2N=C(C)O)[C@@H]1O	standard non polar	2025-10-24	3374.63
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_104	CC(O)=N[C@H]1[C@H](O[C@@H]2[C@@H](CO)OC(=O)[C@H](N=C(C)O[Si](C)(C)C)[C@H]2O)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2N=C(C)O)[C@@H]1O	standard non polar	2025-10-24	3347.83
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_105	CC(O)=N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)OC(=O)[C@H](N=C(C)O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)[C@H](N=C(C)O[Si](C)(C)C)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O	standard non polar	2025-10-24	1779.52
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_106	CC(O)=N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)OC(=O)[C@H](N=C(C)O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)[C@H](N=C(C)O)[C@H]2O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O	standard non polar	2025-10-24	2416.41
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_107	CC(O)=N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)OC(=O)[C@H](N=C(C)O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)[C@H](N=C(C)O)[C@H]2O)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O	standard non polar	2025-10-24	1499.4
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_108	CC(O)=N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)OC(=O)[C@H](N=C(C)O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)[C@H](N=C(C)O)[C@H]2O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O	standard non polar	2025-10-24	2693.31
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_109	CC(O)=N[C@H]1[C@H](O[C@@H]2[C@@H](CO)OC(=O)[C@H](N=C(C)O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2N=C(C)O)[C@@H]1O	standard non polar	2025-10-24	3437.27
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_110	CC(O)=N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)OC(=O)[C@H](N=C(C)O[Si](C)(C)C)[C@H]3O)[C@H](N=C(C)O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O	standard non polar	2025-10-24	1957.6
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_111	CC(O)=N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)OC(=O)[C@H](N=C(C)O[Si](C)(C)C)[C@H]3O)[C@H](N=C(C)O[Si](C)(C)C)[C@H]2O)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O	standard non polar	2025-10-24	3788.61
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_112	CC(O)=N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)OC(=O)[C@H](N=C(C)O[Si](C)(C)C)[C@H]3O)[C@H](N=C(C)O[Si](C)(C)C)[C@H]2O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O	standard non polar	2025-10-24	1576.29
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_113	CC(O)=N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)OC(=O)[C@H](N=C(C)O[Si](C)(C)C)[C@H]3O)[C@H](N=C(C)O[Si](C)(C)C)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1160.97
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_114	CC(O)=N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)OC(=O)[C@H](N=C(C)O[Si](C)(C)C)[C@H]3O)[C@H](N=C(C)O)[C@H]2O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O	standard non polar	2025-10-24	2062.85
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_115	CC(O)=N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)OC(=O)[C@H](N=C(C)O[Si](C)(C)C)[C@H]3O)[C@H](N=C(C)O)[C@H]2O[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O	standard non polar	2025-10-24	1167.26
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_116	CC(O)=N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)OC(=O)[C@H](N=C(C)O[Si](C)(C)C)[C@H]3O)[C@H](N=C(C)O)[C@H]2O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	2047.43
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_117	CC(O)=N[C@H]1[C@H](O[C@@H]2[C@@H](CO)OC(=O)[C@H](N=C(C)O[Si](C)(C)C)[C@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2N=C(C)O)[C@@H]1O	standard non polar	2025-10-24	2156.86
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_118	CC(O)=N[C@H]1[C@H](O[C@@H]2[C@@H](CO)OC(=O)[C@H](N=C(C)O[Si](C)(C)C)[C@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2N=C(C)O)[C@@H]1O	standard non polar	2025-10-24	1381.33
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_119	CC(O)=N[C@H]1[C@H](O[C@@H]2[C@@H](CO)OC(=O)[C@H](N=C(C)O[Si](C)(C)C)[C@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2N=C(C)O)[C@@H]1O	standard non polar	2025-10-24	1997.21
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_120	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]3N=C(C)O)[C@H](O)[C@H]2N=C(C)O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	2297.38
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_121	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3N=C(C)O)[C@H](O)[C@H]2N=C(C)O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1844.2
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_122	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3N=C(C)O)[C@H](O)[C@H]2N=C(C)O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1667.26
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_123	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3N=C(C)O[Si](C)(C)C)[C@H](O)[C@H]2N=C(C)O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1020.99
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_124	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3N=C(C)O)[C@H](O[Si](C)(C)C)[C@H]2N=C(C)O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	2351.19
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_125	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3N=C(C)O)[C@H](O)[C@H]2N=C(C)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1324.78
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_126	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3N=C(C)O)[C@H](O)[C@H]2N=C(C)O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1895.99
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_127	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3N=C(C)O)[C@H](O)[C@H]2N=C(C)O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1982.7
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_128	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]3N=C(C)O[Si](C)(C)C)[C@H](O)[C@H]2N=C(C)O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1812.78
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_129	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]3N=C(C)O)[C@H](O[Si](C)(C)C)[C@H]2N=C(C)O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	2218.48
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_130	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]3N=C(C)O)[C@H](O)[C@H]2N=C(C)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1677.43
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_131	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]3N=C(C)O)[C@H](O)[C@H]2N=C(C)O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	2213.37
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_132	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3N=C(C)O[Si](C)(C)C)[C@H](O)[C@H]2N=C(C)O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1233.36
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_133	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3N=C(C)O)[C@H](O[Si](C)(C)C)[C@H]2N=C(C)O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1483.03
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_134	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3N=C(C)O)[C@H](O)[C@H]2N=C(C)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	2204.99
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_135	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3N=C(C)O[Si](C)(C)C)[C@H](O)[C@H]2N=C(C)O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	2177.34
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_136	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3N=C(C)O)[C@H](O[Si](C)(C)C)[C@H]2N=C(C)O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	2469.56
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_137	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3N=C(C)O)[C@H](O)[C@H]2N=C(C)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	2511.56
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_138	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3N=C(C)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2N=C(C)O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1171.05
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_139	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3N=C(C)O[Si](C)(C)C)[C@H](O)[C@H]2N=C(C)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	2636.78
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_140	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3N=C(C)O)[C@H](O[Si](C)(C)C)[C@H]2N=C(C)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1714.09
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_141	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3N=C(C)O)[C@H](O)[C@H]2N=C(C)O)[C@@H]1O	standard non polar	2025-10-24	397.647
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_142	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3N=C(C)O)[C@H](O)[C@H]2N=C(C)O)[C@@H]1O	standard non polar	2025-10-24	1753.16
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_143	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]3N=C(C)O[Si](C)(C)C)[C@H](O)[C@H]2N=C(C)O)[C@@H]1O	standard non polar	2025-10-24	1523.29
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_144	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]3N=C(C)O)[C@H](O[Si](C)(C)C)[C@H]2N=C(C)O)[C@@H]1O	standard non polar	2025-10-24	2334.03
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_145	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]3N=C(C)O)[C@H](O)[C@H]2N=C(C)O[Si](C)(C)C)[C@@H]1O	standard non polar	2025-10-24	1935.49
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_146	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]3N=C(C)O)[C@H](O)[C@H]2N=C(C)O)[C@@H]1O	standard non polar	2025-10-24	1828.68
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_147	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3N=C(C)O[Si](C)(C)C)[C@H](O)[C@H]2N=C(C)O)[C@@H]1O	standard non polar	2025-10-24	1530.3
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_148	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3N=C(C)O)[C@H](O[Si](C)(C)C)[C@H]2N=C(C)O)[C@@H]1O	standard non polar	2025-10-24	2575.84
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_149	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3N=C(C)O)[C@H](O)[C@H]2N=C(C)O[Si](C)(C)C)[C@@H]1O	standard non polar	2025-10-24	2442.29
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_150	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3N=C(C)O[Si](C)(C)C)[C@H](O)[C@H]2N=C(C)O)[C@@H]1O	standard non polar	2025-10-24	3062.69
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_151	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3N=C(C)O)[C@H](O[Si](C)(C)C)[C@H]2N=C(C)O)[C@@H]1O	standard non polar	2025-10-24	1714.8
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_152	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3N=C(C)O)[C@H](O)[C@H]2N=C(C)O[Si](C)(C)C)[C@@H]1O	standard non polar	2025-10-24	2374.04
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_153	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3N=C(C)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2N=C(C)O)[C@@H]1O	standard non polar	2025-10-24	2715.1
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_154	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3N=C(C)O[Si](C)(C)C)[C@H](O)[C@H]2N=C(C)O[Si](C)(C)C)[C@@H]1O	standard non polar	2025-10-24	1924.18
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_155	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3N=C(C)O)[C@H](O[Si](C)(C)C)[C@H]2N=C(C)O[Si](C)(C)C)[C@@H]1O	standard non polar	2025-10-24	2713.63
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_156	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]3N=C(C)O)[C@H](O)[C@H]2N=C(C)O)[C@@H]1O	standard non polar	2025-10-24	3098.43
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_157	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3N=C(C)O[Si](C)(C)C)[C@H](O)[C@H]2N=C(C)O)[C@@H]1O	standard non polar	2025-10-24	948.176
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_158	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3N=C(C)O)[C@H](O[Si](C)(C)C)[C@H]2N=C(C)O)[C@@H]1O	standard non polar	2025-10-24	1363.85
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_159	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3N=C(C)O)[C@H](O)[C@H]2N=C(C)O[Si](C)(C)C)[C@@H]1O	standard non polar	2025-10-24	1741.6
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_160	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3N=C(C)O[Si](C)(C)C)[C@H](O)[C@H]2N=C(C)O)[C@@H]1O	standard non polar	2025-10-24	1578.36
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_161	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3N=C(C)O)[C@H](O[Si](C)(C)C)[C@H]2N=C(C)O)[C@@H]1O	standard non polar	2025-10-24	1993.2
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_162	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3N=C(C)O)[C@H](O)[C@H]2N=C(C)O[Si](C)(C)C)[C@@H]1O	standard non polar	2025-10-24	1982.89
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_163	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]3N=C(C)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2N=C(C)O)[C@@H]1O	standard non polar	2025-10-24	290.647
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_164	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]3N=C(C)O[Si](C)(C)C)[C@H](O)[C@H]2N=C(C)O[Si](C)(C)C)[C@@H]1O	standard non polar	2025-10-24	775.08
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_165	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]3N=C(C)O)[C@H](O[Si](C)(C)C)[C@H]2N=C(C)O[Si](C)(C)C)[C@@H]1O	standard non polar	2025-10-24	1843.48
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_166	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]3N=C(C)O[Si](C)(C)C)[C@H](O)[C@H]2N=C(C)O)[C@@H]1O	standard non polar	2025-10-24	1532.09
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_167	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]3N=C(C)O)[C@H](O[Si](C)(C)C)[C@H]2N=C(C)O)[C@@H]1O	standard non polar	2025-10-24	2763.98
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_168	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]3N=C(C)O)[C@H](O)[C@H]2N=C(C)O[Si](C)(C)C)[C@@H]1O	standard non polar	2025-10-24	1462.94
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_169	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3N=C(C)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2N=C(C)O)[C@@H]1O	standard non polar	2025-10-24	2982.27
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_170	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3N=C(C)O[Si](C)(C)C)[C@H](O)[C@H]2N=C(C)O[Si](C)(C)C)[C@@H]1O	standard non polar	2025-10-24	3481.18
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_171	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3N=C(C)O)[C@H](O[Si](C)(C)C)[C@H]2N=C(C)O[Si](C)(C)C)[C@@H]1O	standard non polar	2025-10-24	2019.73
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_172	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3N=C(C)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2N=C(C)O)[C@@H]1O	standard non polar	2025-10-24	3622.08
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_173	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3N=C(C)O[Si](C)(C)C)[C@H](O)[C@H]2N=C(C)O[Si](C)(C)C)[C@@H]1O	standard non polar	2025-10-24	2309.3
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_174	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3N=C(C)O)[C@H](O[Si](C)(C)C)[C@H]2N=C(C)O[Si](C)(C)C)[C@@H]1O	standard non polar	2025-10-24	2489.82
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_175	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3N=C(C)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2N=C(C)O[Si](C)(C)C)[C@@H]1O	standard non polar	2025-10-24	2175.21
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_1	CC(O)=N[C@H]1C(=O)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3N=C(C)O)[C@H](O)[C@H]2N=C(C)O)[C@@H]1O	standard polar	2025-10-24	2558.29
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_2	CC(O)=N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)OC(=O)[C@H](N=C(C)O[Si](C)(C)C)[C@H]3O)[C@H](N=C(C)O)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O	standard polar	2025-10-24	2488.25
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_3	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3N=C(C)O)[C@H](O)[C@H]2N=C(C)O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	1108.92
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_4	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3N=C(C)O)[C@H](O)[C@H]2N=C(C)O)[C@@H]1O	standard polar	2025-10-24	1395.54
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_5	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]3N=C(C)O)[C@H](O)[C@H]2N=C(C)O)[C@@H]1O	standard polar	2025-10-24	1281.48
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_6	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3N=C(C)O)[C@H](O)[C@H]2N=C(C)O)[C@@H]1O	standard polar	2025-10-24	2707.47
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_7	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3N=C(C)O)[C@H](O)[C@H]2N=C(C)O)[C@@H]1O	standard polar	2025-10-24	1086.17
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_8	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3N=C(C)O[Si](C)(C)C)[C@H](O)[C@H]2N=C(C)O)[C@@H]1O	standard polar	2025-10-24	2837.31
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_9	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3N=C(C)O)[C@H](O[Si](C)(C)C)[C@H]2N=C(C)O)[C@@H]1O	standard polar	2025-10-24	1302.18
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_10	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3N=C(C)O)[C@H](O)[C@H]2N=C(C)O[Si](C)(C)C)[C@@H]1O	standard polar	2025-10-24	1534.91
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_11	CC(O)=N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO[Si](C)(C)C)OC(=O)[C@H](N=C(C)O[Si](C)(C)C)[C@H]3O)[C@H](N=C(C)O)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O	standard polar	2025-10-24	1454.18
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_12	CC(O)=N[C@H]1C(=O)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3N=C(C)O)[C@H](O)[C@H]2N=C(C)O)[C@@H]1O	standard polar	2025-10-24	1910.2
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_13	CC(O)=N[C@H]1C(=O)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]3N=C(C)O)[C@H](O)[C@H]2N=C(C)O)[C@@H]1O	standard polar	2025-10-24	864.825
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_14	CC(O)=N[C@H]1C(=O)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3N=C(C)O)[C@H](O)[C@H]2N=C(C)O)[C@@H]1O	standard polar	2025-10-24	1975.54
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_15	CC(O)=N[C@H]1C(=O)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3N=C(C)O)[C@H](O)[C@H]2N=C(C)O)[C@@H]1O	standard polar	2025-10-24	3843.72
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_16	CC(O)=N[C@H]1C(=O)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3N=C(C)O[Si](C)(C)C)[C@H](O)[C@H]2N=C(C)O)[C@@H]1O	standard polar	2025-10-24	1800.16
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_17	CC(O)=N[C@H]1C(=O)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3N=C(C)O)[C@H](O[Si](C)(C)C)[C@H]2N=C(C)O)[C@@H]1O	standard polar	2025-10-24	2349.76
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_18	CC(O)=N[C@H]1C(=O)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3N=C(C)O)[C@H](O)[C@H]2N=C(C)O[Si](C)(C)C)[C@@H]1O	standard polar	2025-10-24	597.366
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_19	CC(O)=N[C@H]1C(=O)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3N=C(C)O)[C@H](O)[C@H]2N=C(C)O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	4574.41
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_20	CC(O)=N[C@H]1[C@H](O[C@@H]2[C@@H](CO)OC(=O)[C@H](N=C(C)O[Si](C)(C)C)[C@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N=C(C)O[Si](C)(C)C)[C@@H]1O	standard polar	2025-10-24	1954.45
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_21	CC(O)=N[C@H]1[C@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)O[C@@H](O[C@@H]3[C@@H](CO)OC(=O)[C@H](N=C(C)O[Si](C)(C)C)[C@H]3O)[C@H](N=C(C)O)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O	standard polar	2025-10-24	3366.19
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_22	CC(O)=N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)OC(=O)[C@H](N=C(C)O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)[C@H](N=C(C)O)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O	standard polar	2025-10-24	2047.75
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_23	CC(O)=N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)OC(=O)[C@H](N=C(C)O[Si](C)(C)C)[C@H]3O)[C@H](N=C(C)O[Si](C)(C)C)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O	standard polar	2025-10-24	2296.67
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_24	CC(O)=N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)OC(=O)[C@H](N=C(C)O[Si](C)(C)C)[C@H]3O)[C@H](N=C(C)O)[C@H]2O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O	standard polar	2025-10-24	1864.03
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_25	CC(O)=N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)OC(=O)[C@H](N=C(C)O[Si](C)(C)C)[C@H]3O)[C@H](N=C(C)O)[C@H]2O)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O	standard polar	2025-10-24	1798.45
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_26	CC(O)=N[C@H]1[C@H](O[C@@H]2[C@@H](CO)OC(=O)[C@H](N=C(C)O[Si](C)(C)C)[C@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2N=C(C)O)[C@@H]1O	standard polar	2025-10-24	5001.81
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_27	CC(O)=N[C@H]1[C@H](O[C@@H]2[C@@H](CO)OC(=O)[C@H](N=C(C)O[Si](C)(C)C)[C@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2N=C(C)O)[C@@H]1O	standard polar	2025-10-24	3451.87
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_28	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3N=C(C)O)[C@H](O)[C@H]2N=C(C)O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	2575.65
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_29	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]3N=C(C)O)[C@H](O)[C@H]2N=C(C)O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	1137.53
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_30	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3N=C(C)O)[C@H](O)[C@H]2N=C(C)O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	2182.99
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_31	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3N=C(C)O)[C@H](O)[C@H]2N=C(C)O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	2265.56
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_32	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3N=C(C)O[Si](C)(C)C)[C@H](O)[C@H]2N=C(C)O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	730.313
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_33	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3N=C(C)O)[C@H](O[Si](C)(C)C)[C@H]2N=C(C)O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	2184.51
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_34	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3N=C(C)O)[C@H](O)[C@H]2N=C(C)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	2662.54
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_35	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]3N=C(C)O)[C@H](O)[C@H]2N=C(C)O)[C@@H]1O	standard polar	2025-10-24	2004.79
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_36	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3N=C(C)O)[C@H](O)[C@H]2N=C(C)O)[C@@H]1O	standard polar	2025-10-24	3552.99
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_37	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3N=C(C)O)[C@H](O)[C@H]2N=C(C)O)[C@@H]1O	standard polar	2025-10-24	1635.32
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_38	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3N=C(C)O[Si](C)(C)C)[C@H](O)[C@H]2N=C(C)O)[C@@H]1O	standard polar	2025-10-24	1679.05
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_39	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3N=C(C)O)[C@H](O[Si](C)(C)C)[C@H]2N=C(C)O)[C@@H]1O	standard polar	2025-10-24	1226.61
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_40	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3N=C(C)O)[C@H](O)[C@H]2N=C(C)O[Si](C)(C)C)[C@@H]1O	standard polar	2025-10-24	3056.72
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_41	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3N=C(C)O)[C@H](O)[C@H]2N=C(C)O)[C@@H]1O	standard polar	2025-10-24	1594.12
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_42	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3N=C(C)O)[C@H](O)[C@H]2N=C(C)O)[C@@H]1O	standard polar	2025-10-24	2458.64
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_43	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]3N=C(C)O[Si](C)(C)C)[C@H](O)[C@H]2N=C(C)O)[C@@H]1O	standard polar	2025-10-24	2233.27
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_44	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]3N=C(C)O)[C@H](O[Si](C)(C)C)[C@H]2N=C(C)O)[C@@H]1O	standard polar	2025-10-24	1086.09
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_45	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]3N=C(C)O)[C@H](O)[C@H]2N=C(C)O[Si](C)(C)C)[C@@H]1O	standard polar	2025-10-24	2053.76
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_46	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]3N=C(C)O)[C@H](O)[C@H]2N=C(C)O)[C@@H]1O	standard polar	2025-10-24	878.358
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_47	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3N=C(C)O[Si](C)(C)C)[C@H](O)[C@H]2N=C(C)O)[C@@H]1O	standard polar	2025-10-24	1127.41
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_48	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3N=C(C)O)[C@H](O[Si](C)(C)C)[C@H]2N=C(C)O)[C@@H]1O	standard polar	2025-10-24	1972.86
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_49	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3N=C(C)O)[C@H](O)[C@H]2N=C(C)O[Si](C)(C)C)[C@@H]1O	standard polar	2025-10-24	1454.12
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_50	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3N=C(C)O[Si](C)(C)C)[C@H](O)[C@H]2N=C(C)O)[C@@H]1O	standard polar	2025-10-24	1292.4
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_51	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3N=C(C)O)[C@H](O[Si](C)(C)C)[C@H]2N=C(C)O)[C@@H]1O	standard polar	2025-10-24	1400.47
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_52	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3N=C(C)O)[C@H](O)[C@H]2N=C(C)O[Si](C)(C)C)[C@@H]1O	standard polar	2025-10-24	2771.77
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_53	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3N=C(C)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2N=C(C)O)[C@@H]1O	standard polar	2025-10-24	4091.05
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_54	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3N=C(C)O[Si](C)(C)C)[C@H](O)[C@H]2N=C(C)O[Si](C)(C)C)[C@@H]1O	standard polar	2025-10-24	1944.64
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_55	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3N=C(C)O)[C@H](O[Si](C)(C)C)[C@H]2N=C(C)O[Si](C)(C)C)[C@@H]1O	standard polar	2025-10-24	2341.01
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_56	CC(O)=N[C@H]1[C@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)OC(=O)[C@H](N=C(C)O[Si](C)(C)C)[C@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N=C(C)O[Si](C)(C)C)[C@@H]1O	standard polar	2025-10-24	2200.68
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_57	CC(O)=N[C@H]1[C@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)O[C@@H](O[C@@H]3[C@@H](CO[Si](C)(C)C)OC(=O)[C@H](N=C(C)O[Si](C)(C)C)[C@H]3O)[C@H](N=C(C)O)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O	standard polar	2025-10-24	2557.34
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_58	CC(O)=N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO[Si](C)(C)C)OC(=O)[C@H](N=C(C)O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)[C@H](N=C(C)O)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O	standard polar	2025-10-24	213.224
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_59	CC(O)=N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO[Si](C)(C)C)OC(=O)[C@H](N=C(C)O[Si](C)(C)C)[C@H]3O)[C@H](N=C(C)O[Si](C)(C)C)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O	standard polar	2025-10-24	2205.04
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_60	CC(O)=N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO[Si](C)(C)C)OC(=O)[C@H](N=C(C)O[Si](C)(C)C)[C@H]3O)[C@H](N=C(C)O)[C@H]2O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O	standard polar	2025-10-24	578.109
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_61	CC(O)=N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO[Si](C)(C)C)OC(=O)[C@H](N=C(C)O[Si](C)(C)C)[C@H]3O)[C@H](N=C(C)O)[C@H]2O)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O	standard polar	2025-10-24	1202.31
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_62	CC(O)=N[C@H]1[C@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)OC(=O)[C@H](N=C(C)O[Si](C)(C)C)[C@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2N=C(C)O)[C@@H]1O	standard polar	2025-10-24	3254.94
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_63	CC(O)=N[C@H]1[C@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)OC(=O)[C@H](N=C(C)O[Si](C)(C)C)[C@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2N=C(C)O)[C@@H]1O	standard polar	2025-10-24	1075.94
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_64	CC(O)=N[C@H]1C(=O)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]3N=C(C)O)[C@H](O)[C@H]2N=C(C)O)[C@@H]1O	standard polar	2025-10-24	2535.39
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_65	CC(O)=N[C@H]1C(=O)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3N=C(C)O)[C@H](O)[C@H]2N=C(C)O)[C@@H]1O	standard polar	2025-10-24	2050.32
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_66	CC(O)=N[C@H]1C(=O)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3N=C(C)O)[C@H](O)[C@H]2N=C(C)O)[C@@H]1O	standard polar	2025-10-24	498.441
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_67	CC(O)=N[C@H]1C(=O)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3N=C(C)O[Si](C)(C)C)[C@H](O)[C@H]2N=C(C)O)[C@@H]1O	standard polar	2025-10-24	1235.84
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_68	CC(O)=N[C@H]1C(=O)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3N=C(C)O)[C@H](O[Si](C)(C)C)[C@H]2N=C(C)O)[C@@H]1O	standard polar	2025-10-24	3019.91
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_69	CC(O)=N[C@H]1C(=O)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3N=C(C)O)[C@H](O)[C@H]2N=C(C)O[Si](C)(C)C)[C@@H]1O	standard polar	2025-10-24	2180.5
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_70	CC(O)=N[C@H]1C(=O)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3N=C(C)O)[C@H](O)[C@H]2N=C(C)O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	2930.93
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_71	CC(O)=N[C@H]1C(=O)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3N=C(C)O)[C@H](O)[C@H]2N=C(C)O)[C@@H]1O	standard polar	2025-10-24	1898.69
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_72	CC(O)=N[C@H]1C(=O)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3N=C(C)O)[C@H](O)[C@H]2N=C(C)O)[C@@H]1O	standard polar	2025-10-24	3361.88
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_73	CC(O)=N[C@H]1C(=O)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]3N=C(C)O[Si](C)(C)C)[C@H](O)[C@H]2N=C(C)O)[C@@H]1O	standard polar	2025-10-24	2183.99
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_74	CC(O)=N[C@H]1C(=O)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]3N=C(C)O)[C@H](O[Si](C)(C)C)[C@H]2N=C(C)O)[C@@H]1O	standard polar	2025-10-24	501.436
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_75	CC(O)=N[C@H]1C(=O)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]3N=C(C)O)[C@H](O)[C@H]2N=C(C)O[Si](C)(C)C)[C@@H]1O	standard polar	2025-10-24	898.857
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_76	CC(O)=N[C@H]1C(=O)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]3N=C(C)O)[C@H](O)[C@H]2N=C(C)O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	2555.72
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_77	CC(O)=N[C@H]1C(=O)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]3N=C(C)O)[C@H](O)[C@H]2N=C(C)O)[C@@H]1O	standard polar	2025-10-24	1523.45
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_78	CC(O)=N[C@H]1C(=O)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3N=C(C)O[Si](C)(C)C)[C@H](O)[C@H]2N=C(C)O)[C@@H]1O	standard polar	2025-10-24	3648.1
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_79	CC(O)=N[C@H]1C(=O)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3N=C(C)O)[C@H](O[Si](C)(C)C)[C@H]2N=C(C)O)[C@@H]1O	standard polar	2025-10-24	3124.28
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_80	CC(O)=N[C@H]1C(=O)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3N=C(C)O)[C@H](O)[C@H]2N=C(C)O[Si](C)(C)C)[C@@H]1O	standard polar	2025-10-24	1790.71
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_81	CC(O)=N[C@H]1C(=O)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3N=C(C)O)[C@H](O)[C@H]2N=C(C)O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	2305.99
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_82	CC(O)=N[C@H]1C(=O)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3N=C(C)O[Si](C)(C)C)[C@H](O)[C@H]2N=C(C)O)[C@@H]1O	standard polar	2025-10-24	649.627
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_83	CC(O)=N[C@H]1C(=O)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3N=C(C)O)[C@H](O[Si](C)(C)C)[C@H]2N=C(C)O)[C@@H]1O	standard polar	2025-10-24	2616.66
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_84	CC(O)=N[C@H]1C(=O)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3N=C(C)O)[C@H](O)[C@H]2N=C(C)O[Si](C)(C)C)[C@@H]1O	standard polar	2025-10-24	3798.38
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_85	CC(O)=N[C@H]1C(=O)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3N=C(C)O)[C@H](O)[C@H]2N=C(C)O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	2383.08
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_86	CC(O)=N[C@H]1C(=O)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3N=C(C)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2N=C(C)O)[C@@H]1O	standard polar	2025-10-24	2772.87
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_87	CC(O)=N[C@H]1C(=O)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3N=C(C)O[Si](C)(C)C)[C@H](O)[C@H]2N=C(C)O[Si](C)(C)C)[C@@H]1O	standard polar	2025-10-24	-1557.37
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_88	CC(O)=N[C@H]1C(=O)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3N=C(C)O[Si](C)(C)C)[C@H](O)[C@H]2N=C(C)O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	1638.96
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_89	CC(O)=N[C@H]1C(=O)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3N=C(C)O)[C@H](O[Si](C)(C)C)[C@H]2N=C(C)O[Si](C)(C)C)[C@@H]1O	standard polar	2025-10-24	3313.87
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_90	CC(O)=N[C@H]1C(=O)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3N=C(C)O)[C@H](O[Si](C)(C)C)[C@H]2N=C(C)O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	2090.17
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_91	CC(O)=N[C@H]1C(=O)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3N=C(C)O)[C@H](O)[C@H]2N=C(C)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	2194.17
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_92	CC(=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3N=C(C)O[Si](C)(C)C)[C@H](O)[C@H]2N=C(C)O[Si](C)(C)C)[C@@H]1O)O[Si](C)(C)C	standard polar	2025-10-24	1001.87
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_93	CC(O)=N[C@H]1[C@H](O[C@@H]2[C@@H](CO)OC(=O)[C@H](N=C(C)O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N=C(C)O[Si](C)(C)C)[C@@H]1O	standard polar	2025-10-24	4427.24
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_94	CC(O)=N[C@H]1[C@H](O[C@@H]2[C@@H](CO)OC(=O)[C@H](N=C(C)O[Si](C)(C)C)[C@H]2O)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N=C(C)O[Si](C)(C)C)[C@@H]1O	standard polar	2025-10-24	2592.29
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_95	CC(O)=N[C@H]1[C@H](O[C@@H]2[C@@H](CO)OC(=O)[C@H](N=C(C)O[Si](C)(C)C)[C@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]2N=C(C)O[Si](C)(C)C)[C@@H]1O	standard polar	2025-10-24	3252.82
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_96	CC(O)=N[C@H]1[C@H](O[C@@H]2[C@@H](CO)OC(=O)[C@H](N=C(C)O[Si](C)(C)C)[C@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2N=C(C)O[Si](C)(C)C)[C@@H]1O	standard polar	2025-10-24	868.361
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_97	CC(O)=N[C@H]1[C@H](O[C@@H]2[C@@H](CO)OC(=O)[C@H](N=C(C)O[Si](C)(C)C)[C@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2N=C(C)O[Si](C)(C)C)[C@@H]1O	standard polar	2025-10-24	3149.06
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_98	CC(O)=N[C@H]1[C@H](O[C@@H]2[C@@H](CO)OC(=O)[C@H](N=C(C)O[Si](C)(C)C)[C@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N=C(C)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	450.41
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_99	CC(O)=N[C@H]1[C@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)O[C@@H](O[C@@H]3[C@@H](CO)OC(=O)[C@H](N=C(C)O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)[C@H](N=C(C)O)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O	standard polar	2025-10-24	2726.2
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_100	CC(O)=N[C@H]1[C@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)O[C@@H](O[C@@H]3[C@@H](CO)OC(=O)[C@H](N=C(C)O[Si](C)(C)C)[C@H]3O)[C@H](N=C(C)O[Si](C)(C)C)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O	standard polar	2025-10-24	2055.73
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_101	CC(O)=N[C@H]1[C@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)O[C@@H](O[C@@H]3[C@@H](CO)OC(=O)[C@H](N=C(C)O[Si](C)(C)C)[C@H]3O)[C@H](N=C(C)O)[C@H]2O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O	standard polar	2025-10-24	2655.02
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_102	CC(O)=N[C@H]1[C@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)O[C@@H](O[C@@H]3[C@@H](CO)OC(=O)[C@H](N=C(C)O[Si](C)(C)C)[C@H]3O)[C@H](N=C(C)O)[C@H]2O)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O	standard polar	2025-10-24	1438.15
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_103	CC(O)=N[C@H]1[C@H](O[C@@H]2[C@@H](CO)OC(=O)[C@H](N=C(C)O[Si](C)(C)C)[C@H]2O)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2N=C(C)O)[C@@H]1O	standard polar	2025-10-24	3791.06
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_104	CC(O)=N[C@H]1[C@H](O[C@@H]2[C@@H](CO)OC(=O)[C@H](N=C(C)O[Si](C)(C)C)[C@H]2O)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2N=C(C)O)[C@@H]1O	standard polar	2025-10-24	2222.62
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_105	CC(O)=N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)OC(=O)[C@H](N=C(C)O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)[C@H](N=C(C)O[Si](C)(C)C)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O	standard polar	2025-10-24	1940.31
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_106	CC(O)=N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)OC(=O)[C@H](N=C(C)O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)[C@H](N=C(C)O)[C@H]2O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O	standard polar	2025-10-24	211.039
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_107	CC(O)=N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)OC(=O)[C@H](N=C(C)O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)[C@H](N=C(C)O)[C@H]2O)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O	standard polar	2025-10-24	2758.21
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_108	CC(O)=N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)OC(=O)[C@H](N=C(C)O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)[C@H](N=C(C)O)[C@H]2O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O	standard polar	2025-10-24	3603.03
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_109	CC(O)=N[C@H]1[C@H](O[C@@H]2[C@@H](CO)OC(=O)[C@H](N=C(C)O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2N=C(C)O)[C@@H]1O	standard polar	2025-10-24	2513.98
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_110	CC(O)=N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)OC(=O)[C@H](N=C(C)O[Si](C)(C)C)[C@H]3O)[C@H](N=C(C)O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O	standard polar	2025-10-24	1639.65
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_111	CC(O)=N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)OC(=O)[C@H](N=C(C)O[Si](C)(C)C)[C@H]3O)[C@H](N=C(C)O[Si](C)(C)C)[C@H]2O)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O	standard polar	2025-10-24	1196.53
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_112	CC(O)=N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)OC(=O)[C@H](N=C(C)O[Si](C)(C)C)[C@H]3O)[C@H](N=C(C)O[Si](C)(C)C)[C@H]2O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O	standard polar	2025-10-24	1671.37
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_113	CC(O)=N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)OC(=O)[C@H](N=C(C)O[Si](C)(C)C)[C@H]3O)[C@H](N=C(C)O[Si](C)(C)C)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	2889.15
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_114	CC(O)=N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)OC(=O)[C@H](N=C(C)O[Si](C)(C)C)[C@H]3O)[C@H](N=C(C)O)[C@H]2O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O	standard polar	2025-10-24	1295.43
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_115	CC(O)=N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)OC(=O)[C@H](N=C(C)O[Si](C)(C)C)[C@H]3O)[C@H](N=C(C)O)[C@H]2O[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O	standard polar	2025-10-24	2886.33
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_116	CC(O)=N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)OC(=O)[C@H](N=C(C)O[Si](C)(C)C)[C@H]3O)[C@H](N=C(C)O)[C@H]2O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	2167.82
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_117	CC(O)=N[C@H]1[C@H](O[C@@H]2[C@@H](CO)OC(=O)[C@H](N=C(C)O[Si](C)(C)C)[C@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2N=C(C)O)[C@@H]1O	standard polar	2025-10-24	3003.34
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_118	CC(O)=N[C@H]1[C@H](O[C@@H]2[C@@H](CO)OC(=O)[C@H](N=C(C)O[Si](C)(C)C)[C@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2N=C(C)O)[C@@H]1O	standard polar	2025-10-24	1609.91
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_119	CC(O)=N[C@H]1[C@H](O[C@@H]2[C@@H](CO)OC(=O)[C@H](N=C(C)O[Si](C)(C)C)[C@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2N=C(C)O)[C@@H]1O	standard polar	2025-10-24	3916.74
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_120	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]3N=C(C)O)[C@H](O)[C@H]2N=C(C)O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	2233.09
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_121	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3N=C(C)O)[C@H](O)[C@H]2N=C(C)O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	1490.47
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_122	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3N=C(C)O)[C@H](O)[C@H]2N=C(C)O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	2124.26
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_123	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3N=C(C)O[Si](C)(C)C)[C@H](O)[C@H]2N=C(C)O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	2272.6
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_124	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3N=C(C)O)[C@H](O[Si](C)(C)C)[C@H]2N=C(C)O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	1462.18
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_125	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3N=C(C)O)[C@H](O)[C@H]2N=C(C)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	2594.12
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_126	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3N=C(C)O)[C@H](O)[C@H]2N=C(C)O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	647.091
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_127	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3N=C(C)O)[C@H](O)[C@H]2N=C(C)O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	4030.95
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_128	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]3N=C(C)O[Si](C)(C)C)[C@H](O)[C@H]2N=C(C)O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	1948.35
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_129	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]3N=C(C)O)[C@H](O[Si](C)(C)C)[C@H]2N=C(C)O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	2791.93
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_130	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]3N=C(C)O)[C@H](O)[C@H]2N=C(C)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	1756.16
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_131	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]3N=C(C)O)[C@H](O)[C@H]2N=C(C)O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	3349.59
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_132	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3N=C(C)O[Si](C)(C)C)[C@H](O)[C@H]2N=C(C)O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	1635.5
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_133	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3N=C(C)O)[C@H](O[Si](C)(C)C)[C@H]2N=C(C)O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	2485.1
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_134	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3N=C(C)O)[C@H](O)[C@H]2N=C(C)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	1310.39
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_135	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3N=C(C)O[Si](C)(C)C)[C@H](O)[C@H]2N=C(C)O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	2370.75
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_136	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3N=C(C)O)[C@H](O[Si](C)(C)C)[C@H]2N=C(C)O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	2381.21
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_137	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3N=C(C)O)[C@H](O)[C@H]2N=C(C)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	1990.63
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_138	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3N=C(C)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2N=C(C)O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	1519.5
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_139	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3N=C(C)O[Si](C)(C)C)[C@H](O)[C@H]2N=C(C)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	3308.26
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_140	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3N=C(C)O)[C@H](O[Si](C)(C)C)[C@H]2N=C(C)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	2574.25
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_141	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3N=C(C)O)[C@H](O)[C@H]2N=C(C)O)[C@@H]1O	standard polar	2025-10-24	1838.42
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_142	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3N=C(C)O)[C@H](O)[C@H]2N=C(C)O)[C@@H]1O	standard polar	2025-10-24	2595.66
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_143	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]3N=C(C)O[Si](C)(C)C)[C@H](O)[C@H]2N=C(C)O)[C@@H]1O	standard polar	2025-10-24	3722.03
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_144	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]3N=C(C)O)[C@H](O[Si](C)(C)C)[C@H]2N=C(C)O)[C@@H]1O	standard polar	2025-10-24	905.432
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_145	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]3N=C(C)O)[C@H](O)[C@H]2N=C(C)O[Si](C)(C)C)[C@@H]1O	standard polar	2025-10-24	2837.98
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_146	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]3N=C(C)O)[C@H](O)[C@H]2N=C(C)O)[C@@H]1O	standard polar	2025-10-24	2972.44
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_147	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3N=C(C)O[Si](C)(C)C)[C@H](O)[C@H]2N=C(C)O)[C@@H]1O	standard polar	2025-10-24	2584.52
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_148	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3N=C(C)O)[C@H](O[Si](C)(C)C)[C@H]2N=C(C)O)[C@@H]1O	standard polar	2025-10-24	351.949
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_149	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3N=C(C)O)[C@H](O)[C@H]2N=C(C)O[Si](C)(C)C)[C@@H]1O	standard polar	2025-10-24	1508.68
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_150	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3N=C(C)O[Si](C)(C)C)[C@H](O)[C@H]2N=C(C)O)[C@@H]1O	standard polar	2025-10-24	2709.83
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_151	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3N=C(C)O)[C@H](O[Si](C)(C)C)[C@H]2N=C(C)O)[C@@H]1O	standard polar	2025-10-24	2311.63
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_152	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3N=C(C)O)[C@H](O)[C@H]2N=C(C)O[Si](C)(C)C)[C@@H]1O	standard polar	2025-10-24	3050.39
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_153	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3N=C(C)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2N=C(C)O)[C@@H]1O	standard polar	2025-10-24	1894.6
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_154	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3N=C(C)O[Si](C)(C)C)[C@H](O)[C@H]2N=C(C)O[Si](C)(C)C)[C@@H]1O	standard polar	2025-10-24	4154.42
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_155	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3N=C(C)O)[C@H](O[Si](C)(C)C)[C@H]2N=C(C)O[Si](C)(C)C)[C@@H]1O	standard polar	2025-10-24	2353.01
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_156	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]3N=C(C)O)[C@H](O)[C@H]2N=C(C)O)[C@@H]1O	standard polar	2025-10-24	3304.68
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_157	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3N=C(C)O[Si](C)(C)C)[C@H](O)[C@H]2N=C(C)O)[C@@H]1O	standard polar	2025-10-24	2232.61
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_158	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3N=C(C)O)[C@H](O[Si](C)(C)C)[C@H]2N=C(C)O)[C@@H]1O	standard polar	2025-10-24	1447.82
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_159	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3N=C(C)O)[C@H](O)[C@H]2N=C(C)O[Si](C)(C)C)[C@@H]1O	standard polar	2025-10-24	2907.68
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_160	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3N=C(C)O[Si](C)(C)C)[C@H](O)[C@H]2N=C(C)O)[C@@H]1O	standard polar	2025-10-24	2618.45
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_161	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3N=C(C)O)[C@H](O[Si](C)(C)C)[C@H]2N=C(C)O)[C@@H]1O	standard polar	2025-10-24	1936.82
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_162	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3N=C(C)O)[C@H](O)[C@H]2N=C(C)O[Si](C)(C)C)[C@@H]1O	standard polar	2025-10-24	2639.6
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_163	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]3N=C(C)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2N=C(C)O)[C@@H]1O	standard polar	2025-10-24	3036.72
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_164	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]3N=C(C)O[Si](C)(C)C)[C@H](O)[C@H]2N=C(C)O[Si](C)(C)C)[C@@H]1O	standard polar	2025-10-24	858.37
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_165	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]3N=C(C)O)[C@H](O[Si](C)(C)C)[C@H]2N=C(C)O[Si](C)(C)C)[C@@H]1O	standard polar	2025-10-24	1265.11
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_166	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]3N=C(C)O[Si](C)(C)C)[C@H](O)[C@H]2N=C(C)O)[C@@H]1O	standard polar	2025-10-24	2268.46
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_167	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]3N=C(C)O)[C@H](O[Si](C)(C)C)[C@H]2N=C(C)O)[C@@H]1O	standard polar	2025-10-24	1601.07
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_168	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]3N=C(C)O)[C@H](O)[C@H]2N=C(C)O[Si](C)(C)C)[C@@H]1O	standard polar	2025-10-24	1270.19
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_169	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3N=C(C)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2N=C(C)O)[C@@H]1O	standard polar	2025-10-24	1643.53
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_170	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3N=C(C)O[Si](C)(C)C)[C@H](O)[C@H]2N=C(C)O[Si](C)(C)C)[C@@H]1O	standard polar	2025-10-24	1145.63
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_171	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3N=C(C)O)[C@H](O[Si](C)(C)C)[C@H]2N=C(C)O[Si](C)(C)C)[C@@H]1O	standard polar	2025-10-24	1104.48
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_172	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3N=C(C)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2N=C(C)O)[C@@H]1O	standard polar	2025-10-24	2905.76
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_173	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3N=C(C)O[Si](C)(C)C)[C@H](O)[C@H]2N=C(C)O[Si](C)(C)C)[C@@H]1O	standard polar	2025-10-24	1933.45
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_174	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3N=C(C)O)[C@H](O[Si](C)(C)C)[C@H]2N=C(C)O[Si](C)(C)C)[C@@H]1O	standard polar	2025-10-24	2549.96
Gas Chromatography	N,N',N''-triacetylchitotriono-1,5-lactone_TMS_175	CC(O)=N[C@H]1C(=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3N=C(C)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2N=C(C)O[Si](C)(C)C)[C@@H]1O	standard polar	2025-10-24	4427.13

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Not Available

Tissue Locations

Not Available

Associated OMIM IDs

114500 (Colorectal cancer)
610247 (Eosinophilic esophagitis)

Human Proteins and Enzymes

Protein ID	Protein Name	Protein Type	Uniprot ID	Species

Human Pathways

Pathways

Name	SMPDB/PathBank

Microbial Pathways

Pathways

Not Available

Metabolic Reactions

Reactions

This table shows at most 20 reactions. For the full list of associated reactions:

See All Associated Reactions

Reaction ID	Precursor	Product	Enzyme	Reaction Type	Data Source	Reference

Health Effects and Bioactivity

Health Outcome/Bioactivity	Metabolite Response/Effect	Evidence Type	Host and Biospecimen	Data Source	Reference

Microbial Sources

Superkingdom/Kingdom	Phylum	Total species	Hosts and Body Sites	Microbial Links
Eukaryota/Fungi	Ascomycota	1

Exposure Sources

Other Exposures

Source Type	Data Source	Reference

Host Biospecimen and Location

Host and Biospecimen	Status	Mean	Std	Min	Max	Units	Age	Sex	Health Condition	Data Source	Reference

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

137333896

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

CMMC Knowledgebase

Not Available

General References

Bansal P, Morgat A, Axelsen KB, Muthukrishnan V, Coudert E, Aimo L, Hyka-Nouspikel N, Gasteiger E, Kerhornou A, Neto TB, Pozzato M, Blatter MC, Ignatchenko A, Redaschi N, Bridge A: Rhea, the reaction knowledgebase in 2022. Nucleic Acids Res. 2022 Jan 7;50(D1):D693-D700. doi: 10.1093/nar/gkab1016. [PubMed:34755880 ]

Showing metabocard for N,N',N''-triacetylchitotriono-1,5-lactone (MMDBc0056160)

MOL for #<Metabolite:0x00007f9ab4991e88>

3D MOL for #<Metabolite:0x00007f9ab4991e88>

3D SDF for #<Metabolite:0x00007f9ab4991e88>

3D-SDF for #<Metabolite:0x00007f9ab4991e88>

PDB for #<Metabolite:0x00007f9ab4991e88>

3D PDB for #<Metabolite:0x00007f9ab4991e88>

SMILES for #<Metabolite:0x00007f9ab4991e88>

INCHI for #<Metabolite:0x00007f9ab4991e88>

Structure for #<Metabolite:0x00007f9ab4991e88>

3D Structure for #<Metabolite:0x00007f9ab4991e88>