MiMeDB: Showing metabocard for Trehalose (MMDBc0000177)

Microbial

Plant

Animal

Pharmaceutical

Xenobiotic

Record Information

Version

2.0

Status

Detected and Quantified

Creation Date

2020-10-27 23:38:42 UTC

Update Date

2024-10-07 03:21:10 UTC

Metabolite ID

MMDBc0000177

Metabolite Identification

Common Name

Trehalose

Description

Trehalose, also known as mycose, is a 1-alpha (disaccharide) sugar found extensively but not abundantly in nature. It is thought to be implicated in anhydrobiosis - the ability of plants and animals to withstand prolonged periods of desiccation. The sugar is thought to form a gel phase as cells dehydrate, which prevents disruption of internal cell organelles by effectively splinting them in position. Rehydration then allows normal cellular activity to be resumed without the major, generally lethal damage that would normally follow a dehydration/reyhdration cycle. Trehalose is a non-reducing sugar formed from two glucose units joined by a 1-1 alpha bond giving it the name of alpha-D-glucopyranoglucopyranosyl-1,1-alpha-D-glucopyranoside. The bonding makes trehalose very resistant to acid hydrolysis, and therefore stable in solution at high temperatures even under acidic conditions. The bonding also keeps non-reducing sugars in closed-ring form, such that the aldehyde or ketone end-groups do not bind to the lysine or arginine residues of proteins (a process called glycation). The enzyme trehalase, present but not abundant in most people, breaks it into two glucose molecules, which can then be readily absorbed in the gut. Trehalose is an important components of insects circulating fluid. It acts as a storage form of insect circulating fluid and it is important in respiration. Trehalose has also been found to be a metabolite of Burkholderia, Escherichia and Propionibacterium (PMID: 12105274 ; PMID: 25479689 ) (krishikosh.egranth.ac.in/bitstream/1/84382/1/88571%20P-1257.pdf).

Structure

MOL 3D MOL SDF 3D SDF PDB 3D PDB SMILES InChI

HMDB0000975
     RDKit          3D
Trehalose
 45 46  0  0  0  0  0  0  0  0999 V2000
    2.1445    0.8058    3.6012 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9175    1.0161    2.4354 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8924   -0.3340    1.7047 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.6221   -0.6822    1.3984 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0353   -0.0810    0.3240 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.1707   -0.9690   -0.2734 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1561   -0.5877   -0.2240 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.7153   -0.3616   -1.4729 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8259    0.4585   -1.3423 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.4718    1.9295   -1.5863 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9656    2.1219   -2.8517 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4593    0.3849    0.0135 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.8112    0.7222   -0.1223 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4182   -1.0347    0.5542 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.9076   -1.0031    1.8790 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0028   -1.5403    0.5837 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.8949   -2.8511    0.1392 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9496    0.4774   -0.7007 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.3564    0.3354   -1.9551 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2808   -0.2344   -0.7763 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.0933    0.5146   -1.6222 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8869   -0.3965    0.5946 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.7135   -1.5338    0.6706 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1965    0.9649    3.4316 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9557    1.1495    2.7774 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5173    1.8254    1.8268 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2562   -1.0658    2.4888 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4186    0.7779    0.7241 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1743    0.3921    0.3171 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6080    0.2201   -2.0956 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8243    2.3094   -0.7724 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4358    2.4768   -1.5132 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7526    2.1255   -3.4816 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0355    1.1105    0.7422 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4125    0.0149    0.1777 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0842   -1.6637   -0.0713 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7778   -1.8983    2.2628 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6097   -1.5344    1.6309 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6204   -2.9366   -0.7971 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1560    1.5673   -0.5816 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4391   -0.5868   -2.3138 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1754   -1.2441   -1.2269 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9882    0.6753   -1.2658 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5840    0.4824    0.7267 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2135   -2.3191    1.0310 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
  9 12  1  0
 12 13  1  0
 12 14  1  0
 14 15  1  0
 14 16  1  0
 16 17  1  0
  5 18  1  0
 18 19  1  0
 18 20  1  0
 20 21  1  0
 20 22  1  0
 22 23  1  0
 22  3  1  0
 16  7  1  0
  1 24  1  0
  2 25  1  0
  2 26  1  0
  3 27  1  1
  5 28  1  1
  7 29  1  1
  9 30  1  6
 10 31  1  0
 10 32  1  0
 11 33  1  0
 12 34  1  1
 13 35  1  0
 14 36  1  6
 15 37  1  0
 16 38  1  1
 17 39  1  0
 18 40  1  1
 19 41  1  0
 20 42  1  6
 21 43  1  0
 22 44  1  1
 23 45  1  0
M  END


  Mrv1652307292023312D          

 23 24  0  0  1  0            999 V2000
    1.0717    0.6187    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.3572    1.0312    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7861    1.0312    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.7861    1.8562    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5006    0.6187    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.2151    1.0312    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5006   -0.2062    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.2151   -0.6187    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7861   -0.6187    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.0717   -0.2062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7861   -1.4437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5006   -1.8562    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3572    0.6187    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.3572   -0.2062    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.3572   -0.6187    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0716   -0.6187    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.0716   -1.4437    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7861   -0.2062    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.5006   -0.6187    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7861    0.6187    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.0716    1.0312    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5006    1.0312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2151    0.6187    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  6  0  0  0
  3  1  1  0  0  0  0
 10  1  1  0  0  0  0
 13  2  1  6  0  0  0
  3  4  1  6  0  0  0
  5  3  1  0  0  0  0
  5  6  1  1  0  0  0
  7  5  1  0  0  0  0
  7  8  1  6  0  0  0
  9  7  1  0  0  0  0
 10  9  1  0  0  0  0
  9 11  1  1  0  0  0
 12 11  1  0  0  0  0
 14 13  1  0  0  0  0
 21 13  1  0  0  0  0
 14 15  1  6  0  0  0
 16 14  1  0  0  0  0
 16 17  1  1  0  0  0
 18 16  1  0  0  0  0
 18 19  1  6  0  0  0
 20 18  1  0  0  0  0
 21 20  1  0  0  0  0
 20 22  1  1  0  0  0
 23 22  1  0  0  0  0
M  END
> <DATABASE_ID>
MMDBc0000177

> <DATABASE_NAME>
MIME

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

> <INCHI_IDENTIFIER>
InChI=1S/C12H22O11/c13-1-3-5(15)7(17)9(19)11(21-3)23-12-10(20)8(18)6(16)4(2-14)22-12/h3-20H,1-2H2/t3-,4-,5-,6-,7+,8+,9-,10-,11-,12-/m1/s1

> <INCHI_KEY>
HDTRYLNUVZCQOY-LIZSDCNHSA-N

> <FORMULA>
C12H22O11

> <MOLECULAR_WEIGHT>
342.2965

> <EXACT_MASS>
342.116211546

> <JCHEM_ACCEPTOR_COUNT>
11

> <JCHEM_ATOM_COUNT>
45

> <JCHEM_AVERAGE_POLARIZABILITY>
31.139303678846364

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
8

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxane-3,4,5-triol

> <ALOGPS_LOGP>
-2.98

> <JCHEM_LOGP>
-4.703374863666666

> <ALOGPS_LOGS>
0.24

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.427499300678097

> <JCHEM_PKA_STRONGEST_ACIDIC>
11.9058964768732

> <JCHEM_PKA_STRONGEST_BASIC>
-2.981084769765199

> <JCHEM_POLAR_SURFACE_AREA>
189.52999999999997

> <JCHEM_REFRACTIVITY>
68.3367

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
5.92e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
α,α'-trehalose

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0000975
     RDKit          3D
Trehalose
 45 46  0  0  0  0  0  0  0  0999 V2000
    2.1445    0.8058    3.6012 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9175    1.0161    2.4354 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8924   -0.3340    1.7047 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.6221   -0.6822    1.3984 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0353   -0.0810    0.3240 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.1707   -0.9690   -0.2734 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1561   -0.5877   -0.2240 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.7153   -0.3616   -1.4729 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8259    0.4585   -1.3423 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.4718    1.9295   -1.5863 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9656    2.1219   -2.8517 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4593    0.3849    0.0135 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.8112    0.7222   -0.1223 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4182   -1.0347    0.5542 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.9076   -1.0031    1.8790 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0028   -1.5403    0.5837 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.8949   -2.8511    0.1392 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9496    0.4774   -0.7007 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.3564    0.3354   -1.9551 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2808   -0.2344   -0.7763 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.0933    0.5146   -1.6222 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8869   -0.3965    0.5946 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.7135   -1.5338    0.6706 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1965    0.9649    3.4316 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9557    1.1495    2.7774 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5173    1.8254    1.8268 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2562   -1.0658    2.4888 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4186    0.7779    0.7241 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1743    0.3921    0.3171 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6080    0.2201   -2.0956 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8243    2.3094   -0.7724 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4358    2.4768   -1.5132 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7526    2.1255   -3.4816 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0355    1.1105    0.7422 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4125    0.0149    0.1777 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0842   -1.6637   -0.0713 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7778   -1.8983    2.2628 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6097   -1.5344    1.6309 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6204   -2.9366   -0.7971 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1560    1.5673   -0.5816 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4391   -0.5868   -2.3138 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1754   -1.2441   -1.2269 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9882    0.6753   -1.2658 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5840    0.4824    0.7267 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2135   -2.3191    1.0310 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
  9 12  1  0
 12 13  1  0
 12 14  1  0
 14 15  1  0
 14 16  1  0
 16 17  1  0
  5 18  1  0
 18 19  1  0
 18 20  1  0
 20 21  1  0
 20 22  1  0
 22 23  1  0
 22  3  1  0
 16  7  1  0
  1 24  1  0
  2 25  1  0
  2 26  1  0
  3 27  1  1
  5 28  1  1
  7 29  1  1
  9 30  1  6
 10 31  1  0
 10 32  1  0
 11 33  1  0
 12 34  1  1
 13 35  1  0
 14 36  1  6
 15 37  1  0
 16 38  1  1
 17 39  1  0
 18 40  1  1
 19 41  1  0
 20 42  1  6
 21 43  1  0
 22 44  1  1
 23 45  1  0
M  END

HEADER    PROTEIN                                 29-JUL-20   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   29-JUL-20         0                                  
HETATM    1  C   UNK     0       2.001   1.155   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0       0.667   1.925   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0       3.334   1.925   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0       3.334   3.465   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0       4.668   1.155   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0       6.002   1.925   0.000  0.00  0.00           O+0
HETATM    7  C   UNK     0       4.668  -0.385   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0       6.002  -1.155   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0       3.334  -1.155   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0       2.001  -0.385   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0       3.334  -2.695   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0       4.668  -3.465   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0      -0.667   1.155   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -0.667  -0.385   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0       0.667  -1.155   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0      -2.000  -1.155   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0      -2.000  -2.695   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0      -3.334  -0.385   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0      -4.668  -1.155   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0      -3.334   1.155   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0      -2.000   1.925   0.000  0.00  0.00           O+0
HETATM   22  C   UNK     0      -4.668   1.925   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0      -6.002   1.155   0.000  0.00  0.00           O+0
CONECT    1    2    3   10                                                  
CONECT    2    1   13                                                       
CONECT    3    1    4    5                                                  
CONECT    4    3                                                            
CONECT    5    3    6    7                                                  
CONECT    6    5                                                            
CONECT    7    5    8    9                                                  
CONECT    8    7                                                            
CONECT    9    7   10   11                                                  
CONECT   10    1    9                                                       
CONECT   11    9   12                                                       
CONECT   12   11                                                            
CONECT   13    2   14   21                                                  
CONECT   14   13   15   16                                                  
CONECT   15   14                                                            
CONECT   16   14   17   18                                                  
CONECT   17   16                                                            
CONECT   18   16   19   20                                                  
CONECT   19   18                                                            
CONECT   20   18   21   22                                                  
CONECT   21   13   20                                                       
CONECT   22   20   23                                                       
CONECT   23   22                                                            
MASTER        0    0    0    0    0    0    0    0   23    0   48    0
END

COMPND    HMDB0000975
HETATM    1  O1  UNL     1       2.145   0.806   3.601  1.00  0.00           O  
HETATM    2  C1  UNL     1       2.917   1.016   2.435  1.00  0.00           C  
HETATM    3  C2  UNL     1       2.892  -0.334   1.705  1.00  0.00           C  
HETATM    4  O2  UNL     1       1.622  -0.682   1.398  1.00  0.00           O  
HETATM    5  C3  UNL     1       1.035  -0.081   0.324  1.00  0.00           C  
HETATM    6  O3  UNL     1       0.171  -0.969  -0.273  1.00  0.00           O  
HETATM    7  C4  UNL     1      -1.156  -0.588  -0.224  1.00  0.00           C  
HETATM    8  O4  UNL     1      -1.715  -0.362  -1.473  1.00  0.00           O  
HETATM    9  C5  UNL     1      -2.826   0.458  -1.342  1.00  0.00           C  
HETATM   10  C6  UNL     1      -2.472   1.930  -1.586  1.00  0.00           C  
HETATM   11  O5  UNL     1      -1.966   2.122  -2.852  1.00  0.00           O  
HETATM   12  C7  UNL     1      -3.459   0.385   0.014  1.00  0.00           C  
HETATM   13  O6  UNL     1      -4.811   0.722  -0.122  1.00  0.00           O  
HETATM   14  C8  UNL     1      -3.418  -1.035   0.554  1.00  0.00           C  
HETATM   15  O7  UNL     1      -3.908  -1.003   1.879  1.00  0.00           O  
HETATM   16  C9  UNL     1      -2.003  -1.540   0.584  1.00  0.00           C  
HETATM   17  O8  UNL     1      -1.895  -2.851   0.139  1.00  0.00           O  
HETATM   18  C10 UNL     1       1.950   0.477  -0.701  1.00  0.00           C  
HETATM   19  O9  UNL     1       1.356   0.335  -1.955  1.00  0.00           O  
HETATM   20  C11 UNL     1       3.281  -0.234  -0.776  1.00  0.00           C  
HETATM   21  O10 UNL     1       4.093   0.515  -1.622  1.00  0.00           O  
HETATM   22  C12 UNL     1       3.887  -0.397   0.595  1.00  0.00           C  
HETATM   23  O11 UNL     1       4.714  -1.534   0.671  1.00  0.00           O  
HETATM   24  H1  UNL     1       1.197   0.965   3.432  1.00  0.00           H  
HETATM   25  H2  UNL     1       3.956   1.149   2.777  1.00  0.00           H  
HETATM   26  H3  UNL     1       2.517   1.825   1.827  1.00  0.00           H  
HETATM   27  H4  UNL     1       3.256  -1.066   2.489  1.00  0.00           H  
HETATM   28  H5  UNL     1       0.419   0.778   0.724  1.00  0.00           H  
HETATM   29  H6  UNL     1      -1.174   0.392   0.317  1.00  0.00           H  
HETATM   30  H7  UNL     1      -3.608   0.220  -2.096  1.00  0.00           H  
HETATM   31  H8  UNL     1      -1.824   2.309  -0.772  1.00  0.00           H  
HETATM   32  H9  UNL     1      -3.436   2.477  -1.513  1.00  0.00           H  
HETATM   33  H10 UNL     1      -2.753   2.125  -3.482  1.00  0.00           H  
HETATM   34  H11 UNL     1      -3.035   1.111   0.742  1.00  0.00           H  
HETATM   35  H12 UNL     1      -5.413   0.015   0.178  1.00  0.00           H  
HETATM   36  H13 UNL     1      -4.084  -1.664  -0.071  1.00  0.00           H  
HETATM   37  H14 UNL     1      -3.778  -1.898   2.263  1.00  0.00           H  
HETATM   38  H15 UNL     1      -1.610  -1.534   1.631  1.00  0.00           H  
HETATM   39  H16 UNL     1      -1.620  -2.937  -0.797  1.00  0.00           H  
HETATM   40  H17 UNL     1       2.156   1.567  -0.582  1.00  0.00           H  
HETATM   41  H18 UNL     1       1.439  -0.587  -2.314  1.00  0.00           H  
HETATM   42  H19 UNL     1       3.175  -1.244  -1.227  1.00  0.00           H  
HETATM   43  H20 UNL     1       4.988   0.675  -1.266  1.00  0.00           H  
HETATM   44  H21 UNL     1       4.584   0.482   0.727  1.00  0.00           H  
HETATM   45  H22 UNL     1       4.214  -2.319   1.031  1.00  0.00           H  
CONECT    1    2   24
CONECT    2    3   25   26
CONECT    3    4   22   27
CONECT    4    5
CONECT    5    6   18   28
CONECT    6    7
CONECT    7    8   16   29
CONECT    8    9
CONECT    9   10   12   30
CONECT   10   11   31   32
CONECT   11   33
CONECT   12   13   14   34
CONECT   13   35
CONECT   14   15   16   36
CONECT   15   37
CONECT   16   17   38
CONECT   17   39
CONECT   18   19   20   40
CONECT   19   41
CONECT   20   21   22   42
CONECT   21   43
CONECT   22   23   44
CONECT   23   45
END

HMDB0000975
     RDKit          3D
Trehalose
 45 46  0  0  0  0  0  0  0  0999 V2000
    2.1445    0.8058    3.6012 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9175    1.0161    2.4354 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8924   -0.3340    1.7047 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.6221   -0.6822    1.3984 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0353   -0.0810    0.3240 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.1707   -0.9690   -0.2734 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1561   -0.5877   -0.2240 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.7153   -0.3616   -1.4729 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8259    0.4585   -1.3423 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.4718    1.9295   -1.5863 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9656    2.1219   -2.8517 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4593    0.3849    0.0135 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.8112    0.7222   -0.1223 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4182   -1.0347    0.5542 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.9076   -1.0031    1.8790 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0028   -1.5403    0.5837 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.8949   -2.8511    0.1392 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9496    0.4774   -0.7007 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.3564    0.3354   -1.9551 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2808   -0.2344   -0.7763 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.0933    0.5146   -1.6222 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8869   -0.3965    0.5946 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.7135   -1.5338    0.6706 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1965    0.9649    3.4316 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9557    1.1495    2.7774 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5173    1.8254    1.8268 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2562   -1.0658    2.4888 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4186    0.7779    0.7241 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1743    0.3921    0.3171 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6080    0.2201   -2.0956 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8243    2.3094   -0.7724 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4358    2.4768   -1.5132 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7526    2.1255   -3.4816 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0355    1.1105    0.7422 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4125    0.0149    0.1777 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0842   -1.6637   -0.0713 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7778   -1.8983    2.2628 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6097   -1.5344    1.6309 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6204   -2.9366   -0.7971 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1560    1.5673   -0.5816 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4391   -0.5868   -2.3138 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1754   -1.2441   -1.2269 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9882    0.6753   -1.2658 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5840    0.4824    0.7267 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2135   -2.3191    1.0310 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
  9 12  1  0
 12 13  1  0
 12 14  1  0
 14 15  1  0
 14 16  1  0
 16 17  1  0
  5 18  1  0
 18 19  1  0
 18 20  1  0
 20 21  1  0
 20 22  1  0
 22 23  1  0
 22  3  1  0
 16  7  1  0
  1 24  1  0
  2 25  1  0
  2 26  1  0
  3 27  1  1
  5 28  1  1
  7 29  1  1
  9 30  1  6
 10 31  1  0
 10 32  1  0
 11 33  1  0
 12 34  1  1
 13 35  1  0
 14 36  1  6
 15 37  1  0
 16 38  1  1
 17 39  1  0
 18 40  1  1
 19 41  1  0
 20 42  1  6
 21 43  1  0
 22 44  1  1
 23 45  1  0
M  END

Synonyms

Value	Source
(GLC)2	ChEBI
alpha,Alpha'-trehalose	ChEBI
alpha-D-GLCP-(11)-alpha-D-GLCP	ChEBI
alpha-D-Glucopyranosyl-alpha-D-glucopyranoside	ChEBI
alpha-D-Trehalose	ChEBI
alpha-Trehalose	ChEBI
D-(+)-Trehalose	ChEBI
Ergot sugar	ChEBI
Mycose	ChEBI
a,Alpha'-trehalose	Generator
Α,alpha'-trehalose	Generator
a-D-GLCP-(11)-a-D-GLCP	Generator
Α-D-GLCP-(11)-α-D-GLCP	Generator
a-D-Glucopyranosyl-a-D-glucopyranoside	Generator
Α-D-glucopyranosyl-α-D-glucopyranoside	Generator
a-D-Trehalose	Generator
Α-D-trehalose	Generator
a-Trehalose	Generator
Α-trehalose	Generator
alpha,alpha-Trehalose	HMDB
D-Trehalose-anhydrous	HMDB
delta-Trehalose-anhydrous	HMDB
D-Trehalose	HMDB
Natural trehalose	HMDB
O-D-Glucopyranosyl-(1→1)-D-glucopyranoside	HMDB
alpha,Alpha'-D-trehalose	HMDB
alpha-D-Glucopyranosyl alpha-D-glucopyranoside	HMDB
Α,α'-D-trehalose	HMDB
Α,α-trehalose	HMDB
Α,α’-D-trehalose	HMDB
Α-D-glucopyranosyl α-D-glucopyranoside	HMDB
Trehalose	HMDB

Molecular Formula

C₁₂H₂₂O₁₁

Average Mass

342.2965

Monoisotopic Mass

342.116211546

IUPAC Name

(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxane-3,4,5-triol

Traditional Name

α,α'-trehalose

CAS Registry Number

99-20-7

SMILES

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

InChI Identifier

InChI=1S/C12H22O11/c13-1-3-5(15)7(17)9(19)11(21-3)23-12-10(20)8(18)6(16)4(2-14)22-12/h3-20H,1-2H2/t3-,4-,5-,6-,7+,8+,9-,10-,11-,12-/m1/s1

InChI Key

HDTRYLNUVZCQOY-LIZSDCNHSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as o-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbohydrates and carbohydrate conjugates

Direct Parent

O-glycosyl compounds

Alternative Parents

Substituents

O-glycosyl compound
Disaccharide
Oxane
Secondary alcohol
Oxacycle
Organoheterocyclic compound
Polyol
Acetal
Hydrocarbon derivative
Primary alcohol
Alcohol
Aliphatic heteromonocyclic compound

Molecular Framework

Aliphatic heteromonocyclic compounds

External Descriptors

trehalose (CHEBI:16551 )
Disaccharides (C01083 )

Functional Ontology

Not Available

Physical Properties

State

Expected Solid

Predicted Properties

Property	Value	Source
Water Solubility	592 g/L	ALOGPS
logP	-3	ALOGPS
logP	-4.7	ChemAxon
logS	0.24	ALOGPS
pKa (Strongest Acidic)	11.91	ChemAxon
pKa (Strongest Basic)	-3	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	11	ChemAxon
Hydrogen Donor Count	8	ChemAxon
Polar Surface Area	189.53 Å²	ChemAxon
Rotatable Bond Count	4	ChemAxon
Refractivity	68.34 m³·mol⁻¹	ChemAxon
Polarizability	31.14 Å³	ChemAxon
Number of Rings	2	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Spectra

Spectrum Type	Description	Splash Key	Deposition Date	View
GC-MS	GC-MS Spectrum - GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) (8 TMS)	splash10-0j4m-0932000000-8d7c80edd7f55e92ea29	2014-06-16	View Spectrum
GC-MS	GC-MS Spectrum - GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) (8 TMS)	splash10-00di-9511000000-b710c7c4bd86fd5f1af0	2014-06-16	View Spectrum
GC-MS	GC-MS Spectrum - GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) (8 TMS)	splash10-00di-9511000000-2e5f22e6ba282283a569	2014-06-16	View Spectrum
GC-MS	GC-MS Spectrum - GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) (8 TMS)	splash10-00di-9832000000-b3259de2e25ea7293565	2014-06-16	View Spectrum
GC-MS	GC-MS Spectrum - GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) (8 TMS)	splash10-0wos-0921000000-68fb82f427417ec703a0	2014-06-16	View Spectrum
GC-MS	GC-MS Spectrum - GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) (8 TMS)	splash10-0j4m-0943000000-07c11d483e4278dc639a	2014-06-16	View Spectrum
GC-MS	GC-MS Spectrum - GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) (8 TMS)	splash10-0wmm-0953000000-b74403fa3ce6ce0339eb	2014-06-16	View Spectrum
GC-MS	GC-MS Spectrum - GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) (Non-derivatized)	splash10-0i04-0932000000-8de0421184ae3291ea53	2014-06-16	View Spectrum
GC-MS	GC-MS Spectrum - GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) (8 TMS)	splash10-00di-8932000000-c327fe31b8d3e86dd97d	2014-06-16	View Spectrum
GC-MS	GC-MS Spectrum - GC-MS (8 TMS)	splash10-0j4l-0954000000-33e230d28780be607983	2014-06-16	View Spectrum
GC-MS	GC-MS Spectrum - GC-EI-TOF (Non-derivatized)	splash10-0j4m-0932000000-8d7c80edd7f55e92ea29	2017-09-12	View Spectrum
GC-MS	GC-MS Spectrum - GC-EI-TOF (Non-derivatized)	splash10-00di-9511000000-b710c7c4bd86fd5f1af0	2017-09-12	View Spectrum
GC-MS	GC-MS Spectrum - GC-EI-TOF (Non-derivatized)	splash10-00di-9511000000-2e5f22e6ba282283a569	2017-09-12	View Spectrum
GC-MS	GC-MS Spectrum - GC-EI-TOF (Non-derivatized)	splash10-00di-9832000000-b3259de2e25ea7293565	2017-09-12	View Spectrum
GC-MS	GC-MS Spectrum - GC-EI-TOF (Non-derivatized)	splash10-0wos-0921000000-68fb82f427417ec703a0	2017-09-12	View Spectrum
GC-MS	GC-MS Spectrum - GC-EI-TOF (Non-derivatized)	splash10-0j4m-0943000000-07c11d483e4278dc639a	2017-09-12	View Spectrum
GC-MS	GC-MS Spectrum - GC-EI-TOF (Non-derivatized)	splash10-0wmm-0953000000-b74403fa3ce6ce0339eb	2017-09-12	View Spectrum
GC-MS	GC-MS Spectrum - GC-EI-TOF (Non-derivatized)	splash10-0i04-0932000000-8de0421184ae3291ea53	2017-09-12	View Spectrum
GC-MS	GC-MS Spectrum - GC-EI-TOF (Non-derivatized)	splash10-00di-8932000000-c327fe31b8d3e86dd97d	2017-09-12	View Spectrum
GC-MS	GC-MS Spectrum - GC-MS (Non-derivatized)	splash10-0j4l-0954000000-33e230d28780be607983	2017-09-12	View Spectrum
GC-MS	GC-MS Spectrum - GC-EI-TOF (Non-derivatized)	splash10-0i2d-0921000000-9e633378baf1645df2a1	2017-09-12	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	splash10-08ni-9554000000-e418bec346785e269084	2016-09-22	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (4 TMS) - 70eV, Positive	splash10-014i-2553419000-dd0bea0ade3ee46308dc	2017-10-06	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Quattro_QQQ 10V, Positive (Annotated)	splash10-03di-1901000000-865e9e390fac7d13c2f8	2012-07-24	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Quattro_QQQ 25V, Positive (Annotated)	splash10-000i-9500000000-7d4c9de285c2872d2320	2012-07-24	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Quattro_QQQ 40V, Positive (Annotated)	splash10-000i-9000000000-c71f25d08b875caff6b6	2012-07-24	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QTOF (UPLC Q-Tof Premier, Waters) , Positive	splash10-0006-0019000000-3b4e276ff5686c841bdd	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QTOF (UPLC Q-Tof Premier, Waters) , Negative	splash10-0fdx-8905000000-fafde7828ce0d63fe618	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QTOF , negative	splash10-0fdx-8905000000-f4b4b3ad528ea3bf43c2	2017-09-14	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - , negative	splash10-004i-0900000000-d382926500274fb84a46	2017-09-14	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-ITFT , positive	splash10-0udi-0090000000-10524d7a715f8a0ed265	2017-09-14	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QTOF , positive	splash10-0006-0019000000-3b4e276ff5686c841bdd	2017-09-14	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - 40V, Negative	splash10-0a4i-9000000000-9ae5587f61124e19e967	2021-09-20	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - 20V, Negative	splash10-052r-9400000000-912468a68a25ec147569	2021-09-20	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - 10V, Positive	splash10-01t9-0926000000-b1b3f8b4fbacdcc1180f	2021-09-20	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - 40V, Positive	splash10-0ab9-9200000000-0088f187ae8b6d9b5c2e	2021-09-20	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - 40V, Negative	splash10-0ab9-9200000000-8437afa67780c28771b8	2021-09-20	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - 10V, Negative	splash10-0006-5809000000-5a5cec80f792fdde61bb	2021-09-20	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - 20V, Positive	splash10-01q9-0900000000-c4415a0eb58b8c1c5640	2021-09-20	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - 10V, Positive	splash10-01t9-0926000000-af9f579519c642acb94f	2021-09-20	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - 40V, Positive	splash10-000i-9300000000-197e82f358194cd04b3c	2021-09-20	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - 10V, Positive	splash10-01q9-3593000000-97d3b3b35a65f632fddd	2021-09-20	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-03ec-0903000000-8981579ae1dd58ba65c9	2016-09-12	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-03di-1901000000-4c8ec381daa00b88a539	2016-09-12	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-03dl-5900000000-89485b49a32afa256bdc	2016-09-12	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-002f-4918000000-df3152da1740bcb45d3d	2016-09-12	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-03mi-3901000000-c9e67703b1ef9ca4f8cc	2016-09-12	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-002f-9600000000-b9d2971c377f79dd6238	2016-09-12	View Spectrum
MS	Mass Spectrum (Electron Ionization)	splash10-022c-9100000000-33d1067ccb0cb2dda51d	2018-05-25	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 125 MHz, H₂O, experimental)		2012-12-04	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, H₂O, experimental)		2012-12-04	View Spectrum
1D NMR	¹H NMR Spectrum (1D, D₂O, experimental)		2016-10-22	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 400 MHz, H₂O, experimental)		2021-10-10	View Spectrum
2D NMR	[¹H, ¹H]-TOCSY. Unexported temporarily by An Chi on Oct 15, 2021 until json or nmrML file is generated. 2D NMR Spectrum (experimental)		2012-12-04	View Spectrum
2D NMR	[¹H, ¹³C]-HSQC NMR Spectrum (2D, 600 MHz, H₂O, experimental)		2012-12-05	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)	2025-10-23	537.7
Liquid Chromatography	HILIC	Accucore 150 Amide HILIC (eluted)	2025-10-23	383.3
Liquid Chromatography	Reversed-phase	Hypersil Gold 1.9 µm C18 (void)	2025-10-23	64.8
Liquid Chromatography	Reversed-phase	Agilent Zorbax Eclipse Plus C18 (2.1 mm x 150 mm, 3.5 um) (eluted)	2025-10-23	264.9
Liquid Chromatography	Reversed-phase	XBridge C18 3.5u 2.1x50 mm (eluted)	2025-10-23	328.7
Liquid Chromatography	Reversed-phase	Ascentis Express C18 (eluted)	2025-10-23	263.0
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (void)	2025-10-23	655.6
Liquid Chromatography	HILIC	Merck SeQuant ZIC-HILIC (eluted)	2025-10-23	804.5
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC (eluted)	2025-10-23	723.5
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (eluted)	2025-10-23	160.9
Liquid Chromatography	HILIC	Merck SeQuant ZIC-HILIC (eluted)	2025-10-23	524.0
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (void)	2025-10-23	185.1
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (void)	2025-10-23	25.6
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC column (eluted)	2025-10-23	434.6
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC column (eluted)	2025-10-23	742.9
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (void)	2025-10-23	89.7
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (void)	2025-10-23	283.7
Liquid Chromatography	Reversed-phase	Kinetex Core-Shell C18 2.6 um, 3.0 x 100 mm, Phenomenex (eluted)	2025-10-23	844.4
Liquid Chromatography	Reversed-phase	Waters Atlantis T3 (2.1 x 150 mm, 5 um) (eluted)	2025-10-23	587.1

Retention Indices

Chromatography Type	Peak Label	SMILES	Stationary Phase	Deposition Date	Retention Index
Gas Chromatography	Trehalose_TMS_1	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O	standard non polar	2025-10-23	1502.29
Gas Chromatography	Trehalose_TMS_2	C[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O	standard non polar	2025-10-23	1901.79
Gas Chromatography	Trehalose_TMS_3	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]1O	standard non polar	2025-10-23	2725.58
Gas Chromatography	Trehalose_TMS_4	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	standard non polar	2025-10-23	1979.03
Gas Chromatography	Trehalose_TMS_5	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O	standard non polar	2025-10-23	1914.58
Gas Chromatography	Trehalose_TMS_6	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O	standard non polar	2025-10-23	1945.04
Gas Chromatography	Trehalose_TMS_7	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O	standard non polar	2025-10-23	2203.13
Gas Chromatography	Trehalose_TMS_8	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O	standard non polar	2025-10-23	1543.43
Gas Chromatography	Trehalose_TMS_9	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	standard non polar	2025-10-23	2091.05
Gas Chromatography	Trehalose_TMS_10	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	standard non polar	2025-10-23	1849.18
Gas Chromatography	Trehalose_TMS_11	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-23	3211.51
Gas Chromatography	Trehalose_TMS_12	C[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@H](O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O	standard non polar	2025-10-23	1932.56
Gas Chromatography	Trehalose_TMS_13	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)[C@@H]1O	standard non polar	2025-10-23	2105.6
Gas Chromatography	Trehalose_TMS_14	C[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)[C@H](O)[C@H]1O	standard non polar	2025-10-23	1044.86
Gas Chromatography	Trehalose_TMS_15	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O[C@@H]1CO	standard non polar	2025-10-23	1003.66
Gas Chromatography	Trehalose_TMS_16	C[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-23	1949.91
Gas Chromatography	Trehalose_TMS_17	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)[C@@H]1O	standard non polar	2025-10-23	1065.23
Gas Chromatography	Trehalose_TMS_18	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)[C@@H]1O	standard non polar	2025-10-23	1514.58
Gas Chromatography	Trehalose_TMS_19	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-23	1951.87
Gas Chromatography	Trehalose_TMS_20	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-23	2147.11
Gas Chromatography	Trehalose_TMS_21	C[Si](C)(C)OC[C@H]1O[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]2O)[C@H](O)[C@@H](O)[C@@H]1O	standard non polar	2025-10-23	1697.43
Gas Chromatography	Trehalose_TMS_22	C[Si](C)(C)OC[C@H]1O[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]2O)[C@H](O)[C@@H](O)[C@@H]1O	standard non polar	2025-10-23	2673.58
Gas Chromatography	Trehalose_TMS_23	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O	standard non polar	2025-10-23	2261.16
Gas Chromatography	Trehalose_TMS_24	C[Si](C)(C)OC[C@H]1O[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]2O)[C@H](O)[C@@H](O)[C@@H]1O	standard non polar	2025-10-23	1333.39
Gas Chromatography	Trehalose_TMS_25	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O	standard non polar	2025-10-23	1822.72
Gas Chromatography	Trehalose_TMS_26	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	standard non polar	2025-10-23	1655.52
Gas Chromatography	Trehalose_TMS_27	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	standard non polar	2025-10-23	2946.09
Gas Chromatography	Trehalose_TMS_28	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-23	2389.51
Gas Chromatography	Trehalose_TMS_29	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O	standard non polar	2025-10-23	2701.68
Gas Chromatography	Trehalose_TMS_30	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	standard non polar	2025-10-23	1544.79
Gas Chromatography	Trehalose_TMS_31	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	standard non polar	2025-10-23	2228.53
Gas Chromatography	Trehalose_TMS_32	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-23	1712.53
Gas Chromatography	Trehalose_TMS_33	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	standard non polar	2025-10-23	2006.02
Gas Chromatography	Trehalose_TMS_34	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	standard non polar	2025-10-23	2243.75
Gas Chromatography	Trehalose_TMS_35	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-23	2115.48
Gas Chromatography	Trehalose_TMS_36	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	standard non polar	2025-10-23	2940.65
Gas Chromatography	Trehalose_TMS_37	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-23	2621.64
Gas Chromatography	Trehalose_TMS_38	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-23	2650.11
Gas Chromatography	Trehalose_TMS_39	C[Si](C)(C)O[C@@H]1[C@@H](CO)O[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]2O)[C@H](O)[C@H]1O	standard non polar	2025-10-23	1612.16
Gas Chromatography	Trehalose_TMS_40	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[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]2O)O[C@@H]1CO	standard non polar	2025-10-23	2637.5
Gas Chromatography	Trehalose_TMS_41	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)O[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]2O)[C@@H]1O	standard non polar	2025-10-23	1200.31
Gas Chromatography	Trehalose_TMS_42	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[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]2O)O[C@@H]1CO	standard non polar	2025-10-23	2373.52
Gas Chromatography	Trehalose_TMS_43	C[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@H](O)[C@H]1O	standard non polar	2025-10-23	2296.97
Gas Chromatography	Trehalose_TMS_44	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)O[C@@H]1CO	standard non polar	2025-10-23	1332.29
Gas Chromatography	Trehalose_TMS_45	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O[C@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	standard non polar	2025-10-23	2350.16
Gas Chromatography	Trehalose_TMS_46	C[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO)O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-23	1527.01
Gas Chromatography	Trehalose_TMS_47	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@@H]1O	standard non polar	2025-10-23	3197.78
Gas Chromatography	Trehalose_TMS_48	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-23	1389.16
Gas Chromatography	Trehalose_TMS_49	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O	standard non polar	2025-10-23	425.872
Gas Chromatography	Trehalose_TMS_50	C[Si](C)(C)OC[C@H]1O[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]2O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O	standard non polar	2025-10-23	2692.88
Gas Chromatography	Trehalose_TMS_51	C[Si](C)(C)OC[C@H]1O[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]2O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	standard non polar	2025-10-23	2349.27
Gas Chromatography	Trehalose_TMS_52	C[Si](C)(C)OC[C@H]1O[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]2O)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-23	2053.1
Gas Chromatography	Trehalose_TMS_53	C[Si](C)(C)OC[C@H]1O[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]2O)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-23	2214.71
Gas Chromatography	Trehalose_TMS_54	C[Si](C)(C)OC[C@H]1O[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]2O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O	standard non polar	2025-10-23	1496.85
Gas Chromatography	Trehalose_TMS_55	C[Si](C)(C)OC[C@H]1O[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]2O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	standard non polar	2025-10-23	1854.68
Gas Chromatography	Trehalose_TMS_56	C[Si](C)(C)OC[C@H]1O[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]2O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	standard non polar	2025-10-23	1740.66
Gas Chromatography	Trehalose_TMS_57	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	standard non polar	2025-10-23	898.143
Gas Chromatography	Trehalose_TMS_58	C[Si](C)(C)OC[C@H]1O[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]2O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O	standard non polar	2025-10-23	2019.3
Gas Chromatography	Trehalose_TMS_59	C[Si](C)(C)OC[C@H]1O[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]2O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	standard non polar	2025-10-23	2337.83
Gas Chromatography	Trehalose_TMS_60	C[Si](C)(C)OC[C@H]1O[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]2O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	standard non polar	2025-10-23	1683.38
Gas Chromatography	Trehalose_TMS_61	C[Si](C)(C)OC[C@H]1O[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]2O)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-23	2667.18
Gas Chromatography	Trehalose_TMS_62	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	standard non polar	2025-10-23	3658.9
Gas Chromatography	Trehalose_TMS_63	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	standard non polar	2025-10-23	2035.6
Gas Chromatography	Trehalose_TMS_64	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-23	2069.23
Gas Chromatography	Trehalose_TMS_65	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	standard non polar	2025-10-23	2634.08
Gas Chromatography	Trehalose_TMS_66	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-23	1614.47
Gas Chromatography	Trehalose_TMS_67	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-23	1139.66
Gas Chromatography	Trehalose_TMS_68	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	standard non polar	2025-10-23	2625.94
Gas Chromatography	Trehalose_TMS_69	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	standard non polar	2025-10-23	1129.57
Gas Chromatography	Trehalose_TMS_70	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-23	2190.74
Gas Chromatography	Trehalose_TMS_71	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	standard non polar	2025-10-23	829.179
Gas Chromatography	Trehalose_TMS_72	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-23	1041.66
Gas Chromatography	Trehalose_TMS_73	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-23	1573.7
Gas Chromatography	Trehalose_TMS_74	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	standard non polar	2025-10-23	1956.7
Gas Chromatography	Trehalose_TMS_75	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-23	1511.17
Gas Chromatography	Trehalose_TMS_76	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-23	2190.05
Gas Chromatography	Trehalose_TMS_77	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-23	2878.99
Gas Chromatography	Trehalose_TMS_78	C[Si](C)(C)O[C@@H]1[C@@H](CO)O[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]2O[Si](C)(C)C)[C@H](O)[C@H]1O	standard non polar	2025-10-23	1552.93
Gas Chromatography	Trehalose_TMS_79	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C)[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]2O)O[C@@H]1CO	standard non polar	2025-10-23	1587.47
Gas Chromatography	Trehalose_TMS_80	C[Si](C)(C)O[C@@H]1[C@@H](CO)O[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]2O)[C@H](O)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-23	3449.25
Gas Chromatography	Trehalose_TMS_81	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[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]2O[Si](C)(C)C)O[C@@H]1CO	standard non polar	2025-10-23	1929.95
Gas Chromatography	Trehalose_TMS_82	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)O[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]2O[Si](C)(C)C)[C@@H]1O	standard non polar	2025-10-23	2304.58
Gas Chromatography	Trehalose_TMS_83	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)O[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]2O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-23	1773.49
Gas Chromatography	Trehalose_TMS_84	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[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]2O[Si](C)(C)C)O[C@@H]1CO	standard non polar	2025-10-23	2469.21
Gas Chromatography	Trehalose_TMS_85	C[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO)O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-23	2248.51
Gas Chromatography	Trehalose_TMS_86	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-23	3040.35
Gas Chromatography	Trehalose_TMS_87	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O	standard non polar	2025-10-23	1945.09
Gas Chromatography	Trehalose_TMS_88	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	standard non polar	2025-10-23	2102.8
Gas Chromatography	Trehalose_TMS_89	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	standard non polar	2025-10-23	1911.0
Gas Chromatography	Trehalose_TMS_90	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-23	2526.31
Gas Chromatography	Trehalose_TMS_91	C[Si](C)(C)OC[C@H]1O[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]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	standard non polar	2025-10-23	2049.26
Gas Chromatography	Trehalose_TMS_92	C[Si](C)(C)OC[C@H]1O[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]2O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-23	2615.03
Gas Chromatography	Trehalose_TMS_93	C[Si](C)(C)OC[C@H]1O[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]2O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-23	2532.34
Gas Chromatography	Trehalose_TMS_94	C[Si](C)(C)OC[C@H]1O[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]2O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-23	1487.16
Gas Chromatography	Trehalose_TMS_95	C[Si](C)(C)OC[C@H]1O[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]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	standard non polar	2025-10-23	1910.16
Gas Chromatography	Trehalose_TMS_96	C[Si](C)(C)OC[C@H]1O[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]2O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	standard non polar	2025-10-23	3707.27
Gas Chromatography	Trehalose_TMS_97	C[Si](C)(C)OC[C@H]1O[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]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	standard non polar	2025-10-23	1605.97
Gas Chromatography	Trehalose_TMS_98	C[Si](C)(C)OC[C@H]1O[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]2O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	standard non polar	2025-10-23	1753.09
Gas Chromatography	Trehalose_TMS_99	C[Si](C)(C)OC[C@H]1O[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]2O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-23	1455.7
Gas Chromatography	Trehalose_TMS_100	C[Si](C)(C)OC[C@H]1O[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]2O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	standard non polar	2025-10-23	2625.08
Gas Chromatography	Trehalose_TMS_101	C[Si](C)(C)OC[C@H]1O[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]2O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-23	2040.49
Gas Chromatography	Trehalose_TMS_102	C[Si](C)(C)OC[C@H]1O[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]2O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-23	2772.89
Gas Chromatography	Trehalose_TMS_103	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	standard non polar	2025-10-23	2128.1
Gas Chromatography	Trehalose_TMS_104	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-23	2237.88
Gas Chromatography	Trehalose_TMS_105	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-23	2254.97
Gas Chromatography	Trehalose_TMS_106	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-23	2705.71
Gas Chromatography	Trehalose_TMS_107	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	standard non polar	2025-10-23	1879.93
Gas Chromatography	Trehalose_TMS_108	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-23	2954.02
Gas Chromatography	Trehalose_TMS_109	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-23	1605.54
Gas Chromatography	Trehalose_TMS_110	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-23	422.958
Gas Chromatography	Trehalose_TMS_111	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-23	2039.89
Gas Chromatography	Trehalose_TMS_112	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C)[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]2O[Si](C)(C)C)O[C@@H]1CO	standard non polar	2025-10-23	2701.83
Gas Chromatography	Trehalose_TMS_113	C[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO)O[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]2O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-23	919.263
Gas Chromatography	Trehalose_TMS_114	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)O[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]2O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-23	2199.38
Gas Chromatography	Trehalose_TMS_115	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	standard non polar	2025-10-23	1792.21
Gas Chromatography	Trehalose_TMS_116	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	standard non polar	2025-10-23	2174.33
Gas Chromatography	Trehalose_TMS_117	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-23	2676.08
Gas Chromatography	Trehalose_TMS_118	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	standard non polar	2025-10-23	3613.91
Gas Chromatography	Trehalose_TMS_119	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-23	2735.4
Gas Chromatography	Trehalose_TMS_120	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-23	2650.7
Gas Chromatography	Trehalose_TMS_121	C[Si](C)(C)OC[C@H]1O[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]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-23	1117.81
Gas Chromatography	Trehalose_TMS_122	C[Si](C)(C)OC[C@H]1O[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]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-23	1083.23
Gas Chromatography	Trehalose_TMS_123	C[Si](C)(C)OC[C@H]1O[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]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	standard non polar	2025-10-23	2036.91
Gas Chromatography	Trehalose_TMS_124	C[Si](C)(C)OC[C@H]1O[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]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	standard non polar	2025-10-23	2945.58
Gas Chromatography	Trehalose_TMS_125	C[Si](C)(C)OC[C@H]1O[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]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-23	1994.76
Gas Chromatography	Trehalose_TMS_126	C[Si](C)(C)OC[C@H]1O[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]2O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-23	2067.95
Gas Chromatography	Trehalose_TMS_127	C[Si](C)(C)OC[C@H]1O[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]2O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-23	2383.37
Gas Chromatography	Trehalose_TMS_128	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-23	1920.03
Gas Chromatography	Trehalose_TMS_129	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-23	1612.18
Gas Chromatography	Trehalose_TMS_130	C[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO)O[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]2O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-23	1228.75
Gas Chromatography	Trehalose_TMS_131	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	standard non polar	2025-10-23	1659.59
Gas Chromatography	Trehalose_TMS_132	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-23	1116.68
Gas Chromatography	Trehalose_TMS_133	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-23	1869.06
Gas Chromatography	Trehalose_TMS_134	C[Si](C)(C)OC[C@H]1O[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]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-23	2970.81
Gas Chromatography	Trehalose_TMS_1	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O	standard polar	2025-10-23	1704.72
Gas Chromatography	Trehalose_TMS_2	C[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O	standard polar	2025-10-23	2638.32
Gas Chromatography	Trehalose_TMS_3	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]1O	standard polar	2025-10-23	1893.12
Gas Chromatography	Trehalose_TMS_4	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	standard polar	2025-10-23	2105.1
Gas Chromatography	Trehalose_TMS_5	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O	standard polar	2025-10-23	1581.05
Gas Chromatography	Trehalose_TMS_6	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O	standard polar	2025-10-23	1700.4
Gas Chromatography	Trehalose_TMS_7	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O	standard polar	2025-10-23	2143.42
Gas Chromatography	Trehalose_TMS_8	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O	standard polar	2025-10-23	1973.81
Gas Chromatography	Trehalose_TMS_9	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	standard polar	2025-10-23	1590.83
Gas Chromatography	Trehalose_TMS_10	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	standard polar	2025-10-23	1755.38
Gas Chromatography	Trehalose_TMS_11	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-23	2596.36
Gas Chromatography	Trehalose_TMS_12	C[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@H](O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O	standard polar	2025-10-23	1940.33
Gas Chromatography	Trehalose_TMS_13	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)[C@@H]1O	standard polar	2025-10-23	1860.73
Gas Chromatography	Trehalose_TMS_14	C[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)[C@H](O)[C@H]1O	standard polar	2025-10-23	1536.24
Gas Chromatography	Trehalose_TMS_15	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O[C@@H]1CO	standard polar	2025-10-23	2637.14
Gas Chromatography	Trehalose_TMS_16	C[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O[Si](C)(C)C	standard polar	2025-10-23	1393.72
Gas Chromatography	Trehalose_TMS_17	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)[C@@H]1O	standard polar	2025-10-23	1223.18
Gas Chromatography	Trehalose_TMS_18	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)[C@@H]1O	standard polar	2025-10-23	1883.46
Gas Chromatography	Trehalose_TMS_19	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-23	2599.64
Gas Chromatography	Trehalose_TMS_20	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	standard polar	2025-10-23	1519.02
Gas Chromatography	Trehalose_TMS_21	C[Si](C)(C)OC[C@H]1O[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]2O)[C@H](O)[C@@H](O)[C@@H]1O	standard polar	2025-10-23	2579.47
Gas Chromatography	Trehalose_TMS_22	C[Si](C)(C)OC[C@H]1O[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]2O)[C@H](O)[C@@H](O)[C@@H]1O	standard polar	2025-10-23	2929.63
Gas Chromatography	Trehalose_TMS_23	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O	standard polar	2025-10-23	2353.89
Gas Chromatography	Trehalose_TMS_24	C[Si](C)(C)OC[C@H]1O[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]2O)[C@H](O)[C@@H](O)[C@@H]1O	standard polar	2025-10-23	2989.88
Gas Chromatography	Trehalose_TMS_25	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O	standard polar	2025-10-23	2193.7
Gas Chromatography	Trehalose_TMS_26	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	standard polar	2025-10-23	2282.21
Gas Chromatography	Trehalose_TMS_27	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	standard polar	2025-10-23	2591.99
Gas Chromatography	Trehalose_TMS_28	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-23	2081.64
Gas Chromatography	Trehalose_TMS_29	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O	standard polar	2025-10-23	2968.75
Gas Chromatography	Trehalose_TMS_30	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	standard polar	2025-10-23	2357.2
Gas Chromatography	Trehalose_TMS_31	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	standard polar	2025-10-23	1402.87
Gas Chromatography	Trehalose_TMS_32	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-23	1284.33
Gas Chromatography	Trehalose_TMS_33	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	standard polar	2025-10-23	2245.48
Gas Chromatography	Trehalose_TMS_34	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	standard polar	2025-10-23	2015.65
Gas Chromatography	Trehalose_TMS_35	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-23	2115.46
Gas Chromatography	Trehalose_TMS_36	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	standard polar	2025-10-23	2638.74
Gas Chromatography	Trehalose_TMS_37	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-23	1555.71
Gas Chromatography	Trehalose_TMS_38	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-23	1690.18
Gas Chromatography	Trehalose_TMS_39	C[Si](C)(C)O[C@@H]1[C@@H](CO)O[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]2O)[C@H](O)[C@H]1O	standard polar	2025-10-23	1899.17
Gas Chromatography	Trehalose_TMS_40	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[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]2O)O[C@@H]1CO	standard polar	2025-10-23	2045.6
Gas Chromatography	Trehalose_TMS_41	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)O[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]2O)[C@@H]1O	standard polar	2025-10-23	2515.76
Gas Chromatography	Trehalose_TMS_42	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[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]2O)O[C@@H]1CO	standard polar	2025-10-23	1990.78
Gas Chromatography	Trehalose_TMS_43	C[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@H](O)[C@H]1O	standard polar	2025-10-23	2065.83
Gas Chromatography	Trehalose_TMS_44	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)O[C@@H]1CO	standard polar	2025-10-23	1142.83
Gas Chromatography	Trehalose_TMS_45	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O[C@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	standard polar	2025-10-23	2786.31
Gas Chromatography	Trehalose_TMS_46	C[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO)O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-23	2480.71
Gas Chromatography	Trehalose_TMS_47	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@@H]1O	standard polar	2025-10-23	2053.11
Gas Chromatography	Trehalose_TMS_48	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-23	1936.35
Gas Chromatography	Trehalose_TMS_49	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O	standard polar	2025-10-23	1312.58
Gas Chromatography	Trehalose_TMS_50	C[Si](C)(C)OC[C@H]1O[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]2O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O	standard polar	2025-10-23	2358.2
Gas Chromatography	Trehalose_TMS_51	C[Si](C)(C)OC[C@H]1O[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]2O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	standard polar	2025-10-23	2537.05
Gas Chromatography	Trehalose_TMS_52	C[Si](C)(C)OC[C@H]1O[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]2O)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-23	1763.82
Gas Chromatography	Trehalose_TMS_53	C[Si](C)(C)OC[C@H]1O[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]2O)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-23	2027.81
Gas Chromatography	Trehalose_TMS_54	C[Si](C)(C)OC[C@H]1O[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]2O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O	standard polar	2025-10-23	740.093
Gas Chromatography	Trehalose_TMS_55	C[Si](C)(C)OC[C@H]1O[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]2O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	standard polar	2025-10-23	1847.08
Gas Chromatography	Trehalose_TMS_56	C[Si](C)(C)OC[C@H]1O[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]2O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	standard polar	2025-10-23	1618.9
Gas Chromatography	Trehalose_TMS_57	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	standard polar	2025-10-23	3122.37
Gas Chromatography	Trehalose_TMS_58	C[Si](C)(C)OC[C@H]1O[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]2O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O	standard polar	2025-10-23	2288.98
Gas Chromatography	Trehalose_TMS_59	C[Si](C)(C)OC[C@H]1O[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]2O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	standard polar	2025-10-23	1493.83
Gas Chromatography	Trehalose_TMS_60	C[Si](C)(C)OC[C@H]1O[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]2O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	standard polar	2025-10-23	2196.45
Gas Chromatography	Trehalose_TMS_61	C[Si](C)(C)OC[C@H]1O[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]2O)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-23	1814.86
Gas Chromatography	Trehalose_TMS_62	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	standard polar	2025-10-23	3843.91
Gas Chromatography	Trehalose_TMS_63	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	standard polar	2025-10-23	2789.58
Gas Chromatography	Trehalose_TMS_64	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-23	2808.4
Gas Chromatography	Trehalose_TMS_65	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	standard polar	2025-10-23	1021.52
Gas Chromatography	Trehalose_TMS_66	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-23	3335.22
Gas Chromatography	Trehalose_TMS_67	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-23	1972.74
Gas Chromatography	Trehalose_TMS_68	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	standard polar	2025-10-23	1701.46
Gas Chromatography	Trehalose_TMS_69	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	standard polar	2025-10-23	1679.09
Gas Chromatography	Trehalose_TMS_70	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-23	1088.38
Gas Chromatography	Trehalose_TMS_71	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	standard polar	2025-10-23	1303.67
Gas Chromatography	Trehalose_TMS_72	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-23	1603.94
Gas Chromatography	Trehalose_TMS_73	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-23	3253.61
Gas Chromatography	Trehalose_TMS_74	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	standard polar	2025-10-23	2286.45
Gas Chromatography	Trehalose_TMS_75	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-23	1346.39
Gas Chromatography	Trehalose_TMS_76	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-23	1591.44
Gas Chromatography	Trehalose_TMS_77	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-23	3772.62
Gas Chromatography	Trehalose_TMS_78	C[Si](C)(C)O[C@@H]1[C@@H](CO)O[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]2O[Si](C)(C)C)[C@H](O)[C@H]1O	standard polar	2025-10-23	1367.57
Gas Chromatography	Trehalose_TMS_79	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C)[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]2O)O[C@@H]1CO	standard polar	2025-10-23	2647.74
Gas Chromatography	Trehalose_TMS_80	C[Si](C)(C)O[C@@H]1[C@@H](CO)O[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]2O)[C@H](O)[C@H]1O[Si](C)(C)C	standard polar	2025-10-23	1859.21
Gas Chromatography	Trehalose_TMS_81	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[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]2O[Si](C)(C)C)O[C@@H]1CO	standard polar	2025-10-23	2392.92
Gas Chromatography	Trehalose_TMS_82	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)O[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]2O[Si](C)(C)C)[C@@H]1O	standard polar	2025-10-23	1961.86
Gas Chromatography	Trehalose_TMS_83	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)O[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]2O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-23	1038.64
Gas Chromatography	Trehalose_TMS_84	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[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]2O[Si](C)(C)C)O[C@@H]1CO	standard polar	2025-10-23	1352.41
Gas Chromatography	Trehalose_TMS_85	C[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO)O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-23	772.636
Gas Chromatography	Trehalose_TMS_86	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-23	1650.43
Gas Chromatography	Trehalose_TMS_87	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O	standard polar	2025-10-23	2096.88
Gas Chromatography	Trehalose_TMS_88	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	standard polar	2025-10-23	2614.25
Gas Chromatography	Trehalose_TMS_89	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	standard polar	2025-10-23	2221.91
Gas Chromatography	Trehalose_TMS_90	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-23	3164.81
Gas Chromatography	Trehalose_TMS_91	C[Si](C)(C)OC[C@H]1O[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]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	standard polar	2025-10-23	3398.27
Gas Chromatography	Trehalose_TMS_92	C[Si](C)(C)OC[C@H]1O[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]2O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-23	2631.61
Gas Chromatography	Trehalose_TMS_93	C[Si](C)(C)OC[C@H]1O[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]2O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-23	1942.77
Gas Chromatography	Trehalose_TMS_94	C[Si](C)(C)OC[C@H]1O[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]2O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-23	3871.7
Gas Chromatography	Trehalose_TMS_95	C[Si](C)(C)OC[C@H]1O[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]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	standard polar	2025-10-23	1225.48
Gas Chromatography	Trehalose_TMS_96	C[Si](C)(C)OC[C@H]1O[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]2O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	standard polar	2025-10-23	2702.21
Gas Chromatography	Trehalose_TMS_97	C[Si](C)(C)OC[C@H]1O[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]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	standard polar	2025-10-23	1027.51
Gas Chromatography	Trehalose_TMS_98	C[Si](C)(C)OC[C@H]1O[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]2O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	standard polar	2025-10-23	2210.46
Gas Chromatography	Trehalose_TMS_99	C[Si](C)(C)OC[C@H]1O[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]2O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-23	1272.31
Gas Chromatography	Trehalose_TMS_100	C[Si](C)(C)OC[C@H]1O[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]2O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	standard polar	2025-10-23	2523.94
Gas Chromatography	Trehalose_TMS_101	C[Si](C)(C)OC[C@H]1O[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]2O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-23	1387.31
Gas Chromatography	Trehalose_TMS_102	C[Si](C)(C)OC[C@H]1O[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]2O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-23	1418.89
Gas Chromatography	Trehalose_TMS_103	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	standard polar	2025-10-23	2847.4
Gas Chromatography	Trehalose_TMS_104	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-23	2947.41
Gas Chromatography	Trehalose_TMS_105	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-23	1427.73
Gas Chromatography	Trehalose_TMS_106	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-23	2056.61
Gas Chromatography	Trehalose_TMS_107	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	standard polar	2025-10-23	1888.02
Gas Chromatography	Trehalose_TMS_108	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-23	1799.72
Gas Chromatography	Trehalose_TMS_109	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-23	2872.37
Gas Chromatography	Trehalose_TMS_110	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-23	2869.59
Gas Chromatography	Trehalose_TMS_111	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-23	2891.96
Gas Chromatography	Trehalose_TMS_112	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C)[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]2O[Si](C)(C)C)O[C@@H]1CO	standard polar	2025-10-23	1543.93
Gas Chromatography	Trehalose_TMS_113	C[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO)O[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]2O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-23	2937.23
Gas Chromatography	Trehalose_TMS_114	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)O[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]2O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-23	2512.4
Gas Chromatography	Trehalose_TMS_115	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	standard polar	2025-10-23	2382.62
Gas Chromatography	Trehalose_TMS_116	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	standard polar	2025-10-23	769.605
Gas Chromatography	Trehalose_TMS_117	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-23	2221.77
Gas Chromatography	Trehalose_TMS_118	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	standard polar	2025-10-23	1668.31
Gas Chromatography	Trehalose_TMS_119	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-23	2108.64
Gas Chromatography	Trehalose_TMS_120	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-23	1721.97
Gas Chromatography	Trehalose_TMS_121	C[Si](C)(C)OC[C@H]1O[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]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-23	1936.65
Gas Chromatography	Trehalose_TMS_122	C[Si](C)(C)OC[C@H]1O[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]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-23	1338.65
Gas Chromatography	Trehalose_TMS_123	C[Si](C)(C)OC[C@H]1O[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]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	standard polar	2025-10-23	1740.71
Gas Chromatography	Trehalose_TMS_124	C[Si](C)(C)OC[C@H]1O[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]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	standard polar	2025-10-23	1827.55
Gas Chromatography	Trehalose_TMS_125	C[Si](C)(C)OC[C@H]1O[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]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-23	1799.47
Gas Chromatography	Trehalose_TMS_126	C[Si](C)(C)OC[C@H]1O[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]2O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-23	2316.17
Gas Chromatography	Trehalose_TMS_127	C[Si](C)(C)OC[C@H]1O[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]2O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-23	2512.72
Gas Chromatography	Trehalose_TMS_128	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-23	2103.4
Gas Chromatography	Trehalose_TMS_129	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-23	1075.31
Gas Chromatography	Trehalose_TMS_130	C[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO)O[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]2O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-23	1160.81
Gas Chromatography	Trehalose_TMS_131	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	standard polar	2025-10-23	1580.1
Gas Chromatography	Trehalose_TMS_132	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-23	3148.94
Gas Chromatography	Trehalose_TMS_133	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-23	991.048
Gas Chromatography	Trehalose_TMS_134	C[Si](C)(C)OC[C@H]1O[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]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-23	2403.35

Biological Properties

Cellular Locations

Extracellular

Biospecimen Locations

Blood
Epidermis
Feces
Fibroblasts
Kidney
Platelet
Skeletal Muscle
Urine

Tissue Locations

Epidermis
Fibroblasts
Kidney
Platelet
Skeletal Muscle

Associated OMIM IDs

114500 (Colorectal cancer)
610247 (Eosinophilic esophagitis)

Human Proteins and Enzymes

Protein ID	Protein Name	Protein Type	Uniprot ID	Species
MMDBp0192041	Trehalase	Enzyme	O43280	Homo sapiens

Human Pathways

Pathways

Name	SMPDB/PathBank

Microbial Pathways

Pathways

Name	SMPDB/PathBank	Species
Phosphotransferase system (PTS)		Escherichia coli Escherichia coli SMS-3-5 Escherichia coli UTI89 Escherichia coli 55989 Escherichia coli SE11 Escherichia coli CFT073 Bacillus subtilis Klebsiella pneumoniae Bacillus cereus Bacillus amyloliquefaciens Streptococcus pneumoniae Clostridium saccharoperbutylacetonicum N1-4(HMT) Salmonella enterica Clostridium acetobutylicum ATCC 824 Staphylococcus aureus Clostridium perfringens Clostridium sporogenes Streptococcus pneumoniae TIGR4 Anaerococcus prevotii DSM 20548 Anaerostipes caccae Anaerostipes hadrus Bacillus cereus AH187 (F4810/72) Bacillus halodurans C-125 Clostridium beijerinckii NCIMB 8052 Clostridium botulinum Clostridium perfringens ATCC 13124 Clostridium saccharolyticum Collinsella aerofaciens Enterococcus faecalis Enterococcus hirae ATCC 9790 Lactobacillus paracasei Megamonas hypermegale Ruminococcus torques L2-14 lactobacillus crispatus lactobacillus jensenii Citrobacter koseri Proteus mirabilis Shigella boydii Shigella dysenteriae Shigella flexneri Shigella sonnei Aeromonas hydrophila Vibrio vulnificus Fusobacterium ulcerans Streptococcus gordonii Streptococcus oralis Streptococcus sanguinis Streptococcus mutans Streptococcus agalactiae Streptococcus pyogenes Streptococcus dysgalactiae Streptococcus equinus Streptococcus equi Streptococcus uberis Enterococcus gallinarum Lancefieldella rimae Bacillus licheniformis Priestia megaterium Bacillus pumilus Bacillus thuringiensis Clostridium butyricum Lactobacillus delbrueckii Lactobacillus plantarum Lactobacillus gasseri Lactobacillus sakei Lactobacillus amylovorus Lactobacillus salivarius Listeria monocytogenes Staphylococcus lugdunensis Enterococcus avium Lactobacillus johnsonii Enterococcus casseliflavus Eubacterium ventriosum Enterococcus cecorum Streptococcus cristatus Mitsuokella multacida Brachyspira pilosicoli Enterococcus durans Holdemania filiformis Streptococcus peroris Enterobacter cancerogenus Streptococcus constellatus Bacillus clausii Peptacetobacter hiranonis Citrobacter youngae Leuconostoc kimchii Collinsella stercoris Lactobacillus iners Streptococcus lutetiensis Escherichia albertii Lactobacillus ultunensis Streptococcus pseudopneumoniae Streptococcus gallolyticus Clostridium beijerinckii Enterococcus faecium Enterococcus hirae Gemella sanguinis Klebsiella variicola Lactobacillus rhamnosus Lactobacillus ruminis Lactococcus lactis Streptococcus parasanguinis Streptococcus suis Gemella haemolysans Granulicatella adiacens Aeromonas hydrophila subsp. hydrophila ATCC 7966 Atopobium parvulum DSM 20469 Bacillus megaterium QM B1551 Bacillus thuringiensis serovar konkukian str. 97-27 Bacillus licheniformis ATCC 14580 Bacillus clausii KSM-K16 Bacillus amyloliquefaciens FZB42 Bacillus pumilus SAFR-032 Bacillus cereus B4264 Bacillus cereus Q1 Priestia megaterium DSM 319 Bacillus subtilis subsp. spizizenii str. W23 Bacillus amyloliquefaciens DSM 7 Citrobacter koseri ATCC BAA-895 Clostridium perfringens str. 13 Clostridium botulinum A str. Hall Clostridium botulinum B1 str. Okra Clostridium botulinum A2 str. Kyoto Clostridium botulinum Ba4 str. 657 Clostridium perfringens SM101 Cronobacter sakazakii ATCC BAA-894 Enterobacter cloacae subsp. cloacae ATCC 13047 Escherichia coli APEC O1 Escherichia coli E24377A Escherichia coli O127:H6 str. E2348/69 Escherichia coli UMN026 Escherichia fergusonii ATCC 35469 Escherichia coli ED1a Escherichia coli IAI39 Klebsiella pneumoniae subsp. pneumoniae MGH 78578 Lactobacillus plantarum WCFS1 Lactobacillus johnsonii NCC 533 Lactobacillus salivarius UCC118 Lactobacillus casei ATCC 334 Lactobacillus amylovorus GRL 1112 Lactococcus lactis subsp. lactis Il1403 Lactococcus lactis subsp. cremoris MG1363 Escherichia coli 042 Edwardsiella tarda FL6-60 Pediococcus pentosaceus ATCC 25745 Proteus mirabilis HI4320 Salmonella enterica subsp. enterica serovar Typhimurium str. LT2 Salmonella enterica subsp. enterica serovar Newport str. SL254 Salmonella enterica subsp. enterica serovar Heidelberg str. SL476 Salmonella enterica subsp. enterica serovar Agona str. SL483 Salmonella enterica subsp. enterica serovar Dublin str. CT02021853 Shigella sonnei Ss046 Shigella dysenteriae Sd197 Shigella flexneri 5 str. 8401 Staphylococcus aureus subsp. aureus Mu50 Staphylococcus aureus subsp. aureus COL Staphylococcus aureus subsp. aureus MRSA252 Staphylococcus haemolyticus JCSC1435 Staphylococcus aureus subsp. aureus NCTC 8325 Streptococcus agalactiae 2603V/R Streptococcus mutans UA159 Streptococcus agalactiae NEM316 Streptococcus pyogenes MGAS9429 Streptococcus pneumoniae D39 Streptococcus sanguinis SK36 Streptococcus gordonii str. Challis substr. CH1 Streptococcus pneumoniae Hungary19A-6 Streptococcus pyogenes NZ131 Streptococcus uberis 0140J Streptococcus pneumoniae JJA Streptococcus equi subsp. equi 4047 Streptococcus oralis Uo5 Vibrio parahaemolyticus RIMD 2210633 Yersinia enterocolitica subsp. enterocolitica 8081 Yersinia pseudotuberculosis IP 31758 Cetobacterium somerae ATCC BAA-474 Aeromonas caviae Aeromonas media Aeromonas veronii Cedecea davisae Cedecea davisae DSM 4568 Citrobacter amalonaticus Citrobacter amalonaticus Y19 Citrobacter freundii Citrobacter youngae ATCC 29220 Enterobacter hormaechei Escherichia albertii TW07627 Klebsiella aerogenes Salmonella Salmonella enterica subsp. enterica serovar Typhimurium Trabulsiella guamensis Trabulsiella guamensis ATCC 49490 Tatumella ptyseos Tatumella ptyseos ATCC 33301 Edwardsiella tarda Edwardsiella tarda ATCC 23685 Hafnia alvei Hafnia alvei ATCC 51873 Providencia rustigianii DSM 4541 Providencia stuartii ATCC 25827 Serratia marcescens subsp. marcescens Db11 Yersinia enterocolitica Yersinia pestis Yersinia pseudotuberculosis Vibrio fluvialis Vibrio fluvialis PG41 Vibrio parahaemolyticus Vibrio mimicus Atopobium minutum 10063974 Lancefieldella rimae ATCC 49626 Olsenella profusa F0195 Collinsella intestinalis DSM 13280 Collinsella stercoris DSM 13279 Collinsella tanakaei YIT 12063 Bacillus altitudinis Bacillus infantis NRRL B-14911 Bacillus firmus DS1 Listeria grayi Listeria grayi DSM 20601 Listeria monocytogenes 10403S Exiguobacterium aurantiacum Abiotrophia defectiva Abiotrophia defectiva ATCC 49176 Granulicatella adiacens ATCC 49175 Granulicatella elegans Granulicatella elegans ATCC 700633 Enterococcus asini ATCC 700915 Enterococcus caccae ATCC BAA-1240 Enterococcus casseliflavus ATCC 12755 Enterococcus cecorum DSM 20682 = ATCC 43198 Enterococcus dispar ATCC 51266 Enterococcus phoeniculicola ATCC BAA-412 Lactobacillus paracasei subsp. paracasei 8700:2 Lactobacillus rhamnosus LMS2-1 Lactobacillus iners DSM 13335 Lactobacillus ultunensis DSM 16047 Lactobacillus salivarius DSM 20555 = ATCC 11741 Lactobacillus gastricus PS3 Lactobacillus coryniformis subsp. coryniformis CECT 5711 Pediococcus acidilactici DSM 20284 Pediococcus pentosaceus Oenococcus oeni Lactococcus garvieae Streptococcus constellatus subsp. pharyngis SK1060 = CCUG 46377 Streptococcus australis ATCC 700641 Streptococcus equi subsp. zooepidemicus H70 Streptococcus equi subsp. zooepidemicus MGCS10565 Streptococcus equinus ATCC 9812 Streptococcus infantis ATCC 700779 Clostridium butyricum E4 str. BoNT E BL5262 Clostridium celatum DSM 1785 Clostridium sartagoforme AAU1 Eubacterium ventriosum ATCC 27560 Anaerostipes caccae DSM 14662 Clostridium asparagiforme DSM 15981 [Clostridium] bolteae ATCC BAA-613 Clostridium citroniae WAL-17108 [Clostridium] innocuum 2959 Holdemania filiformis DSM 12042 Kandleria vitulina Kandleria vitulina DSM 20405 Solobacterium moorei F0204 Mitsuokella multacida DSM 20544 Vibrio cholerae M66-2 Vibrio cholerae O1 biovar El Tor str. N16961 Clostridioides difficile 630 Clostridioides difficile NAP08 Streptococcus mitis B6 Streptococcus parasanguinis ATCC 15912 Streptococcus parasanguinis FW213 Streptococcus pasteurianus ATCC 43144 Streptococcus suis GZ1 Exiguobacterium sp. AT1b Geobacillus kaustophilus HTA426 Lactobacillus johnsonii FI9785 Lactobacillus crispatus ST1 Leuconostoc kimchii IMSNU 11154 Listeria innocua Clip11262 Listeria welshimeri serovar 6b str. SLCC5334 Oceanobacillus iheyensis HTE831 Oenococcus oeni PSU-1 Staphylococcus carnosus subsp. carnosus TM300 Streptococcus equi subsp. zooepidemicus Streptococcus suis BM407 Streptococcus gallolyticus UCN34 Symbiobacterium thermophilum IAM 14863 Thermoanaerobacter sp. X514 Thermoanaerobacter italicus Ab9 Thermoanaerobacterium thermosaccharolyticum DSM 571 Klebsiella aerogenes KCTC 2190 Halanaerobium hydrogeniformans Aeromonas salmonicida subsp. salmonicida A449 Vibrio fischeri MJ11 Aliivibrio salmonicida LFI1238 Brachyspira hyodysenteriae WA1 Citrobacter rodentium ICC168 Cronobacter turicensis z3032 Dickeya dadantii Ech703 Dickeya zeae Ech1591 Dickeya dadantii Ech586 Dickeya dadantii 3937 Enterobacter sp. 638 Enterobacter cloacae SCF1 Erwinia amylovora CFBP1430 Erwinia billingiae Eb661 Klebsiella pneumoniae 342 Pantoea ananatis LMG 20103 Pectobacterium atrosepticum SCRI1043 Pectobacterium carotovorum subsp. carotovorum PC1 Photobacterium profundum SS9 Photorhabdus luminescens subsp. laumondii TTO1 Photorhabdus asymbiotica subsp. asymbiotica ATCC 43949 Salmonella enterica subsp. enterica serovar Paratyphi A str. Sebaldella termitidis ATCC 33386 Shigella flexneri 2a str. 301 Shigella boydii Sb227 Shigella boydii CDC 3083-94 Streptobacillus moniliformis DSM 12112 Tolumonas auensis DSM 9187 Vibrio vulnificus CMCP6 Vibrio vulnificus YJ016 Atlantibacter hermannii NBRC 105704 Klebsiella michiganensis KCTC 1686 Chania multitudinisentens RB-25 Hungatella hathewayi DSM 13479

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
MMDBr0018601	Trehalose 6-phosphate	Trehalose	Trehalose-6-phosphate phosphatase	Dephosphorylation	PathBank	31602464
MMDBr0018602	Glycogen	Trehalose	Glycogen debranching enzyme		PathBank	31602464
MMDBr0018603	Trehalose	D-Glucose	Cytoplasmic trehalase	Hydrolysis	PathBank	31602464
MMDBr0018604	Trehalose	D-Glucose	Periplasmic trehalase	Hydrolysis	PathBank	31602464
MMDBr0019338	alpha,alpha-Trehalose 6-phosphate	Trehalose	Trehalose-6-phosphate phosphatase	Dephosphorylation	PathBank	31602464
MMDBr0019900	Trehalose 6-phosphate	Trehalose	Trehalose-phosphatase	Dephosphorylation	PathBank	31602464
MMDBr0019901	Trehalose	D-Glucose	Cytosolic neutral trehalase	Hydrolysis	PathBank	31602464
MMDBr0024892	Trehalose	D-Glucose	Trehalase 1	Hydrolysis	RHEA	34755880
MMDBr0024909	Trehalose	L-Histidine	PTS system trehalose-specific EIIBC component		RHEA	34755880
MMDBr0025266	D-Glucose	Trehalose	Trehalose synthase	Synthesis	RHEA	34755880
MMDBr0025652	Trehalose	CoA	Acyltransferase PapA3	Acylation	RHEA	34755880
MMDBr0026105	CDPglucose	Uridine 5'-diphosphate	Trehalose synthase	Synthesis	RHEA	34755880
MMDBr0026106	ADP-alpha-D-glucose	Trehalose	Trehalose synthase	Synthesis	RHEA	34755880
MMDBr0026107	GDP-alpha-D-glucose	Guanosine 3',5'-bis(diphosphate)	Trehalose synthase	Synthesis	RHEA	34755880
MMDBr0026108	UDP-alpha-D-glucose	Uridine 5'-diphosphate	Trehalose synthase	Synthesis	RHEA	34755880

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
Bacteria/Eubacteria	Firmicutes	625	Human ; Human mucosa; Human supragingival plaque; Human saliva; Human subgingival plaque; Human feces; Human vaginal fluid; Human stool; Human urine; Human dental plaque; Human pleural fluid plaque; Pig ; Human sputum; Cattle	Microbial culture; Metabolic reconstruction
Bacteria/Eubacteria	Bacteroidetes	140	Human saliva; Human stool; Human feces; Human ; Human urine; Human subgingival plaque; Human appendix biopsy	Microbial culture; Metabolic reconstruction
Eukaryota/Fungi	Ascomycota	9	Human feces; Human saliva; Human supragingival plaque	Microbial culture; Unknown
Bacteria/Eubacteria	Deinococcus-thermus	4		Microbial culture
Bacteria/Eubacteria	Actinobacteria	207	Human feces; Human stool; Human ; Human mucosa; Human sputum; Human bronchial brush; Human nasopharyngeal swab; Human pleural fluid plaque; Human dental plaque; Human supragingival plaque; Human subgingival plaque; Human saliva; Cattle	Microbial culture; Metabolic reconstruction
Bacteria/Eubacteria	Thermotogae	1		Microbial culture
Bacteria/Eubacteria	Proteobacteria	281	Human ; Human feces; Human sputum; Human unknown; Pig ; Human pleural fluid plaque; Human dental plaque; Human nasal swab; Human stool; Human feces; pleural fluid plaque; bal; Human supragingival plaque; Human subgingival plaque	Microbial culture; Metabolic reconstruction
Archaea	Euryarchaeota	5	Human feces	Microbial culture; Metabolic reconstruction
Archaea	Crenarchaeota	2	Human feces	Microbial culture; Metabolic reconstruction
Bacteria/Eubacteria	Chloroflexi	1		Microbial culture
Bacteria/Eubacteria	Spirochaetes	5	Human feces	Microbial culture; Metabolic reconstruction
Bacteria/Eubacteria	Verrucomicrobia	2	Human ; Human feces	Metabolic reconstruction
Bacteria/Eubacteria	Synergistetes	3	Human feces	Metabolic reconstruction
Archaea	Thaumarchaeota	1		Metabolic reconstruction
Bacteria/Eubacteria	Fusobacteria	9	Human feces; Human ; Human supragingival plaque; Human subgingival plaque	Metabolic reconstruction
Bacteria	Firmicutes	4	Human ; Human mucosa; Human supragingival plaque; Human saliva; Human subgingival plaque; Human feces; Human vaginal fluid; Human stool; Human urine; Human dental plaque; Human pleural fluid plaque; Pig ; Human sputum; Cattle	Microbial culture; Metabolic reconstruction
Bacteria/Eubacteria	Candidatus melainabacteria	2	Human feces	Metabolic reconstruction
Bacteria/Eubacteria	Tenericutes	3	Human feces	Metabolic reconstruction
Bacteria/Eubacteria	Planctomycetes	3	Human feces	Metabolic reconstruction
Bacteria	Synergistetes	1	Human feces	Metabolic reconstruction
Bacteria	Actinobacteria	7	Human feces; Human stool; Human ; Human mucosa; Human sputum; Human bronchial brush; Human nasopharyngeal swab; Human pleural fluid plaque; Human dental plaque; Human supragingival plaque; Human subgingival plaque; Human saliva; Cattle	Microbial culture; Metabolic reconstruction
Eukaryota/Fungi	Basidiomycota	3
Bacteria	Proteobacteria	3	Human ; Human feces; Human sputum; Human unknown; Pig ; Human pleural fluid plaque; Human dental plaque; Human nasal swab; Human stool; Human feces; pleural fluid plaque; bal; Human supragingival plaque; Human subgingival plaque	Microbial culture; Metabolic reconstruction
Archaea/Archaea	Euryarchaeota	1	Human feces	Microbial culture; Metabolic reconstruction
Eukaryota/Fungi	Microsporidia	1
Archaea/Archaea	nah	1

Exposure Sources

Other Exposures

Source Type	Data Source	Reference
Drugs - Antimicrobial	U.S. Environmental Protection Agency	CompTox
Cosmetics	U.S. Environmental Protection Agency	CompTox
Domestics	U.S. Environmental Protection Agency	CompTox
Domestics	U.S. Environmental Protection Agency	CompTox
Cosmetics	U.S. Environmental Protection Agency	CompTox

Host Biospecimen and Location

Host and Biospecimen	Status	Mean	Units	Age	Sex	Health Condition	Data Source	Reference
Human Feces	Detected but not Quantified			Not Specified	Not Specified	Normal	HMDB	22944170
Human Feces	Detected but not Quantified			Not Specified	Not Specified	Cryptosporidium infection	HMDB	22944170
Human Urine	Detected and Quantified	5.298	umol/mmol creatinine	Children (1 - 13 years old)	Not Specified	Normal	HMDB	Analysis of 30 normal pediatric urine samples via NMR spectroscopy (unpublished work)
Human Urine	Detected and Quantified	5.298	umol/mmol creatinine	Children (1 - 13 years old)	Not Specified	Normal	HMDB	Analysis of 30 normal pediatric urine samples via NMR spectroscopy (unpublished work)
Human Epidermis	Detected but not Quantified			Not Specified	Not Specified	Normal	HMDB	34986597
Human Fibroblasts	Detected but not Quantified			Not Specified	Not Specified	Normal	HMDB	34986597
Human Kidney	Detected but not Quantified			Not Specified	Not Specified	Normal	HMDB	34986597
Human Platelet	Detected but not Quantified			Not Specified	Not Specified	Normal	HMDB	34986597
Human Skeletal muscle	Detected but not Quantified			Not Specified	Not Specified	Normal	HMDB	34986597
Human Feces	Detected but not Quantified			Not Specified	Not Specified	Normal	HMDB	22944170
Human Blood	Detected but not Quantified						HMDB

External Links

HMDB ID

HMDB0000975

DrugBank ID

DB12310

Phenol Explorer Compound ID

Not Available

FooDB ID

KNApSAcK ID

Chemspider ID

KEGG Compound ID

BioCyc ID

BiGG ID

Wikipedia Link

METLIN ID

PubChem Compound

PDB ID

Not Available

ChEBI ID

16551

Food Biomarker Ontology

Not Available

CMMC Knowledgebase

Not Available

General References

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Corning BF, Murphy JC, Fox JG: Group G streptococcal lymphadenitis in rats. J Clin Microbiol. 1991 Dec;29(12):2720-3. doi: 10.1128/jcm.29.12.2720-2723.1991. [PubMed:1757539 ]
Citron DM, Baron EJ, Finegold SM, Goldstein EJ: Short prereduced anaerobically sterilized (PRAS) biochemical scheme for identification of clinical isolates of bile-resistant Bacteroides species. J Clin Microbiol. 1990 Oct;28(10):2220-3. doi: 10.1128/jcm.28.10.2220-2223.1990. [PubMed:2229345 ]
Berlutti F, Thaller MC, Dainelli B, Pezzi R: T-mod pathway, a reduced sequence for identification of gram-negative urinary tract pathogens. J Clin Microbiol. 1989 Jul;27(7):1646-9. doi: 10.1128/jcm.27.7.1646-1649.1989. [PubMed:2768451 ]
Arguelles JC, Rodriguez T, Alvarez-Peral FJ: Trehalose hydrolysis is not required for human serum-induced dimorphic transition in Candida albicans: evidence from a tps1/tps1 mutant deficient in trehalose synthesis. Res Microbiol. 1999 Oct;150(8):521-9. doi: 10.1016/s0923-2508(99)00105-9. [PubMed:10577485 ]
Eroglu A, Russo MJ, Bieganski R, Fowler A, Cheley S, Bayley H, Toner M: Intracellular trehalose improves the survival of cryopreserved mammalian cells. Nat Biotechnol. 2000 Feb;18(2):163-7. doi: 10.1038/72608. [PubMed:10657121 ]
Guo N, Puhlev I, Brown DR, Mansbridge J, Levine F: Trehalose expression confers desiccation tolerance on human cells. Nat Biotechnol. 2000 Feb;18(2):168-71. doi: 10.1038/72616. [PubMed:10657122 ]
Alvarez-Peral FJ, Arguelles JC: Changes in external trehalase activity during human serum-induced dimorphic transition in Candida albicans. Res Microbiol. 2000 Dec;151(10):837-43. doi: 10.1016/s0923-2508(00)01150-5. [PubMed:11191809 ]
Kandror O, DeLeon A, Goldberg AL: Trehalose synthesis is induced upon exposure of Escherichia coli to cold and is essential for viability at low temperatures. Proc Natl Acad Sci U S A. 2002 Jul 23;99(15):9727-32. doi: 10.1073/pnas.142314099. Epub 2002 Jul 8. [PubMed:12105274 ]
Shirkhanzadeh M: Microneedles coated with porous calcium phosphate ceramics: effective vehicles for transdermal delivery of solid trehalose. J Mater Sci Mater Med. 2005 Jan;16(1):37-45. doi: 10.1007/s10856-005-6444-2. [PubMed:15754142 ]
Sasnoor LM, Kale VP, Limaye LS: A combination of catalase and trehalose as additives to conventional freezing medium results in improved cryoprotection of human hematopoietic cells with reference to in vitro migration and adhesion properties. Transfusion. 2005 Apr;45(4):622-33. doi: 10.1111/j.0041-1132.2005.04288.x. [PubMed:15819685 ]
Fujita Y, Naka T, Doi T, Yano I: Direct molecular mass determination of trehalose monomycolate from 11 species of mycobacteria by MALDI-TOF mass spectrometry. Microbiology (Reading). 2005 May;151(Pt 5):1443-1452. doi: 10.1099/mic.0.27791-0. [PubMed:15870454 ]
Chang L, Shepherd D, Sun J, Ouellette D, Grant KL, Tang XC, Pikal MJ: Mechanism of protein stabilization by sugars during freeze-drying and storage: native structure preservation, specific interaction, and/or immobilization in a glassy matrix? J Pharm Sci. 2005 Jul;94(7):1427-44. doi: 10.1002/jps.20364. [PubMed:15920775 ]
Nie Y, de Pablo JJ, Palecek SP: Platelet cryopreservation using a trehalose and phosphate formulation. Biotechnol Bioeng. 2005 Oct 5;92(1):79-90. doi: 10.1002/bit.20577. [PubMed:15937943 ]
Ma X, Jamil K, Macrae TH, Clegg JS, Russell JM, Villeneuve TS, Euloth M, Sun Y, Crowe JH, Tablin F, Oliver AE: A small stress protein acts synergistically with trehalose to confer desiccation tolerance on mammalian cells. Cryobiology. 2005 Aug;51(1):15-28. doi: 10.1016/j.cryobiol.2005.04.007. [PubMed:15963489 ]
Yoshioka S, Aso Y: A quantitative assessment of the significance of molecular mobility as a determinant for the stability of lyophilized insulin formulations. Pharm Res. 2005 Aug;22(8):1358-64. doi: 10.1007/s11095-005-5262-z. Epub 2005 Aug 3. [PubMed:16078146 ]
Alcoba-Florez J, Mendez-Alvarez S, Cano J, Guarro J, Perez-Roth E, del Pilar Arevalo M: Phenotypic and molecular characterization of Candida nivariensis sp. nov., a possible new opportunistic fungus. J Clin Microbiol. 2005 Aug;43(8):4107-11. doi: 10.1128/JCM.43.8.4107-4111.2005. [PubMed:16081957 ]
Davies JE, Sarkar S, Rubinsztein DC: Trehalose reduces aggregate formation and delays pathology in a transgenic mouse model of oculopharyngeal muscular dystrophy. Hum Mol Genet. 2006 Jan 1;15(1):23-31. doi: 10.1093/hmg/ddi422. Epub 2005 Nov 25. [PubMed:16311254 ]
Lu FQ, Liu JH, Ouyang XL, Li XJ, Zhou J, Zhuang Y: [Process of human platelets loaded with rehalose before lyophilization]. Zhongguo Shi Yan Xue Ye Xue Za Zhi. 2006 Feb;14(1):156-61. [PubMed:16584614 ]
Habe H, Sato S, Morita T, Fukuoka T, Kirimura K, Kitamoto D: Bacterial production of short-chain organic acids and trehalose from levulinic acid: a potential cellulose-derived building block as a feedstock for microbial production. Bioresour Technol. 2015 Feb;177:381-6. doi: 10.1016/j.biortech.2014.11.048. Epub 2014 Nov 18. [PubMed:25479689 ]

Showing metabocard for Trehalose (MMDBc0000177)

MOL for #<Metabolite:0x00007fadcc034f68>

3D MOL for #<Metabolite:0x00007fadcc034f68>

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Structure for #<Metabolite:0x00007fadcc034f68>

3D Structure for #<Metabolite:0x00007fadcc034f68>