MiMeDB: Showing metabocard for FMNH2 (MMDBc0031992)

Record Information

Version

2.0

Status

Detected and Quantified

Creation Date

2021-11-18 01:57:49 UTC

Update Date

2025-11-05 17:13:01 UTC

Metabolite ID

MMDBc0031992

Metabolite Identification

Common Name

FMNH2

Description

FMNH2 is a reduced form of flavin mononucleotide, classified as a flavin cofactor. Its chemical structure features a ribityl side chain attached to a flavin moiety, which plays a crucial role in various biochemical pathways. FMNH2 participates in electron transfer reactions, such as the key step involving electron transfer from FMNH2 to triplet-state mScarlet3, resulting in a triplet spin-correlated radical pair (PMID:40372769 ). It is also involved in enzymatic reactions, where reduced flavin (FMNH2) converts CypL∗ to CypL through the FRase reaction, leading to light emission upon reaction with O2 (PMID:39798538 ). Additionally, FMNH2 is integral to the function of flavin-dependent enzymes, such as the Old Yellow Enzyme (OYE), which utilizes FMNH2 for cofactor regeneration in hydrogenase systems (PMID:39244618 ). Moreover, FMNH2 monooxygenase and cytochrome P450 are notable for their roles in the degradation of compounds like endosulfan (PMID:38860796 ). The evolving understanding of FMNH2's role in enzymatic processes highlights its significance in various metabolic pathways and its interaction with other biomolecules (PMID:38399793 , PMID:38263732 ).

Structure

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


  Mrv1652309042000182D          

 31 33  0  0  1  0            999 V2000
   14.8628  -11.6485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8628  -12.4736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5773  -12.8861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2917  -12.4736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2917  -11.6485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5773  -11.2360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0062  -12.8861    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.7207  -12.4736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7207  -11.6485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0062  -11.2360    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.4351  -12.8861    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.1496  -12.4736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1496  -11.6485    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.4351  -11.2360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0062  -13.7111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2917  -14.1236    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   16.2917  -14.9486    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   15.5773  -15.3611    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.8628  -14.9486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1483  -15.3611    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5773  -13.7111    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.0062  -15.3611    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5773  -16.1861    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.8641  -12.8861    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.4351  -10.4110    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1483  -11.2360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1483  -12.8861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4338  -14.9486    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   12.7193  -15.3611    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4338  -14.1236    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1483  -14.5361    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14  9  1  0  0  0  0
  7 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 16 21  1  1  0  0  0
 17 22  1  6  0  0  0
 18 23  1  6  0  0  0
 12 24  2  0  0  0  0
 14 25  2  0  0  0  0
  1 26  1  0  0  0  0
  2 27  1  0  0  0  0
 20 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 28 31  2  0  0  0  0
M  END

HMDB0001142
     RDKit          3D
FMNH2
 54 56  0  0  0  0  0  0  0  0999 V2000
   -4.5345    3.1947   -0.0398 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6540    2.0013   -0.1378 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0486    0.7587    0.2299 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1781   -0.3075    0.1131 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8753   -0.1826   -0.3742 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5077    1.0978   -0.7415 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3832    2.1624   -0.6223 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8995    3.5085   -1.0414 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9790   -1.2675   -0.5206 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3754   -1.1339   -0.9317 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3971   -0.8705    0.1056 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.3678   -1.8795    1.1076 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5145    0.4172    0.7827 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.6891    1.5176   -0.0472 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7449    0.4842    1.7112 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.6560    1.7187    2.3720 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0004    0.5234    0.8840 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9734    1.5562   -0.0523 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3976    1.5705   -0.9627 P   0  0  0  0  0  5  0  0  0  0  0  0
    6.5393    1.2607   -0.0341 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3168    0.4509   -2.2414 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5527    3.1057   -1.6625 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4954   -2.5707   -0.1321 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7350   -3.6625   -0.2385 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2179   -4.8932    0.1223 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4748   -5.8944    0.0086 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4510   -5.0549    0.5891 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2208   -3.9560    0.6972 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3839   -4.0853    1.1338 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7744   -2.7105    0.3471 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6381   -1.6119    0.4839 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6080    2.8621    0.0594 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4931    3.8126   -0.9573 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3217    3.8037    0.8442 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0408    0.5931    0.6148 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5369    1.2098   -1.1446 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2830    3.7937   -2.0404 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7912    3.5317   -0.9998 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2325    4.2904   -0.3019 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5093   -0.3241   -1.7219 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7535   -2.0092   -1.5509 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4102   -1.0764   -0.3782 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6159   -1.7333    1.7245 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6360    0.6452    1.4615 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8551    1.2215   -0.9767 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7323   -0.2952    2.4659 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5539    2.0414    2.6594 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2010   -0.4113    0.3308 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8561    0.7397    1.5562 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0282   -0.2481   -2.1459 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3217    3.6058   -1.2452 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2157   -3.6110   -0.5927 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8303   -5.9975    0.8691 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6252   -1.6925    0.8510 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  5  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 11 13  1  0
 13 14  1  0
 13 15  1  0
 15 16  1  0
 15 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  2  0
 19 21  1  0
 19 22  1  0
  9 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  2  0
 25 27  1  0
 27 28  1  0
 28 29  2  0
 28 30  1  0
 30 31  1  0
  7  2  1  0
 30 23  2  0
 31  4  1  0
  1 32  1  0
  1 33  1  0
  1 34  1  0
  3 35  1  0
  6 36  1  0
  8 37  1  0
  8 38  1  0
  8 39  1  0
 10 40  1  0
 10 41  1  0
 11 42  1  6
 12 43  1  0
 13 44  1  1
 14 45  1  0
 15 46  1  1
 16 47  1  0
 17 48  1  0
 17 49  1  0
 21 50  1  0
 22 51  1  0
 24 52  1  0
 27 53  1  0
 31 54  1  0
M  END


  Mrv1652309042000182D          

 31 33  0  0  1  0            999 V2000
   14.8628  -11.6485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8628  -12.4736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5773  -12.8861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2917  -12.4736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2917  -11.6485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5773  -11.2360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0062  -12.8861    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.7207  -12.4736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7207  -11.6485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0062  -11.2360    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.4351  -12.8861    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.1496  -12.4736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1496  -11.6485    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.4351  -11.2360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0062  -13.7111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2917  -14.1236    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   16.2917  -14.9486    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   15.5773  -15.3611    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.8628  -14.9486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1483  -15.3611    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5773  -13.7111    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.0062  -15.3611    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5773  -16.1861    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.8641  -12.8861    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.4351  -10.4110    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1483  -11.2360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1483  -12.8861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4338  -14.9486    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   12.7193  -15.3611    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4338  -14.1236    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1483  -14.5361    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14  9  1  0  0  0  0
  7 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 16 21  1  1  0  0  0
 17 22  1  6  0  0  0
 18 23  1  6  0  0  0
 12 24  2  0  0  0  0
 14 25  2  0  0  0  0
  1 26  1  0  0  0  0
  2 27  1  0  0  0  0
 20 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 28 31  2  0  0  0  0
M  END
> <DATABASE_ID>
MMDBc0031992

> <DATABASE_NAME>
MIME

> <SMILES>
CC1=CC2=C(C=C1C)N(C[C@H](O)[C@H](O)[C@H](O)COP(O)(O)=O)C1=C(N2)C(=O)NC(=O)N1

> <INCHI_IDENTIFIER>
InChI=1S/C17H23N4O9P/c1-7-3-9-10(4-8(7)2)21(15-13(18-9)16(25)20-17(26)19-15)5-11(22)14(24)12(23)6-30-31(27,28)29/h3-4,11-12,14,18,22-24H,5-6H2,1-2H3,(H2,27,28,29)(H2,19,20,25,26)/t11-,12+,14-/m0/s1

> <INCHI_KEY>
YTNIXZGTHTVJBW-SCRDCRAPSA-N

> <FORMULA>
C17H23N4O9P

> <MOLECULAR_WEIGHT>
458.3597

> <EXACT_MASS>
458.120264866

> <JCHEM_ACCEPTOR_COUNT>
10

> <JCHEM_ATOM_COUNT>
54

> <JCHEM_AVERAGE_POLARIZABILITY>
41.64647898106709

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
8

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
{[(2R,3S,4S)-5-{7,8-dimethyl-2,4-dioxo-1H,2H,3H,4H,5H,10H-benzo[g]pteridin-10-yl}-2,3,4-trihydroxypentyl]oxy}phosphonic acid

> <ALOGPS_LOGP>
-0.17

> <JCHEM_LOGP>
-1.1133401606666669

> <ALOGPS_LOGS>
-2.85

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
6.508886308657804

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.496334340949363

> <JCHEM_PKA_STRONGEST_BASIC>
-0.5198094632847409

> <JCHEM_POLAR_SURFACE_AREA>
200.92

> <JCHEM_REFRACTIVITY>
118.50809999999994

> <JCHEM_ROTATABLE_BOND_COUNT>
7

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
6.42e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
fmnh(.)

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0001142
     RDKit          3D
FMNH2
 54 56  0  0  0  0  0  0  0  0999 V2000
   -4.5345    3.1947   -0.0398 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6540    2.0013   -0.1378 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0486    0.7587    0.2299 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1781   -0.3075    0.1131 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8753   -0.1826   -0.3742 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5077    1.0978   -0.7415 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3832    2.1624   -0.6223 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8995    3.5085   -1.0414 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9790   -1.2675   -0.5206 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3754   -1.1339   -0.9317 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3971   -0.8705    0.1056 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.3678   -1.8795    1.1076 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5145    0.4172    0.7827 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.6891    1.5176   -0.0472 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7449    0.4842    1.7112 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.6560    1.7187    2.3720 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0004    0.5234    0.8840 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9734    1.5562   -0.0523 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3976    1.5705   -0.9627 P   0  0  0  0  0  5  0  0  0  0  0  0
    6.5393    1.2607   -0.0341 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3168    0.4509   -2.2414 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5527    3.1057   -1.6625 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4954   -2.5707   -0.1321 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7350   -3.6625   -0.2385 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2179   -4.8932    0.1223 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4748   -5.8944    0.0086 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4510   -5.0549    0.5891 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2208   -3.9560    0.6972 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3839   -4.0853    1.1338 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7744   -2.7105    0.3471 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6381   -1.6119    0.4839 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6080    2.8621    0.0594 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4931    3.8126   -0.9573 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3217    3.8037    0.8442 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0408    0.5931    0.6148 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5369    1.2098   -1.1446 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2830    3.7937   -2.0404 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7912    3.5317   -0.9998 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2325    4.2904   -0.3019 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5093   -0.3241   -1.7219 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7535   -2.0092   -1.5509 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4102   -1.0764   -0.3782 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6159   -1.7333    1.7245 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6360    0.6452    1.4615 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8551    1.2215   -0.9767 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7323   -0.2952    2.4659 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5539    2.0414    2.6594 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2010   -0.4113    0.3308 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8561    0.7397    1.5562 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0282   -0.2481   -2.1459 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3217    3.6058   -1.2452 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2157   -3.6110   -0.5927 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8303   -5.9975    0.8691 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6252   -1.6925    0.8510 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  5  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 11 13  1  0
 13 14  1  0
 13 15  1  0
 15 16  1  0
 15 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  2  0
 19 21  1  0
 19 22  1  0
  9 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  2  0
 25 27  1  0
 27 28  1  0
 28 29  2  0
 28 30  1  0
 30 31  1  0
  7  2  1  0
 30 23  2  0
 31  4  1  0
  1 32  1  0
  1 33  1  0
  1 34  1  0
  3 35  1  0
  6 36  1  0
  8 37  1  0
  8 38  1  0
  8 39  1  0
 10 40  1  0
 10 41  1  0
 11 42  1  6
 12 43  1  0
 13 44  1  1
 14 45  1  0
 15 46  1  1
 16 47  1  0
 17 48  1  0
 17 49  1  0
 21 50  1  0
 22 51  1  0
 24 52  1  0
 27 53  1  0
 31 54  1  0
M  END

HEADER    PROTEIN                                 04-SEP-20   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   04-SEP-20         0                                  
HETATM    1  C   UNK     0      27.744 -21.744   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      27.744 -23.284   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      29.078 -24.054   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      30.411 -23.284   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      30.411 -21.744   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      29.078 -20.974   0.000  0.00  0.00           C+0
HETATM    7  N   UNK     0      31.745 -24.054   0.000  0.00  0.00           N+0
HETATM    8  C   UNK     0      33.079 -23.284   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      33.079 -21.744   0.000  0.00  0.00           C+0
HETATM   10  N   UNK     0      31.745 -20.974   0.000  0.00  0.00           N+0
HETATM   11  N   UNK     0      34.412 -24.054   0.000  0.00  0.00           N+0
HETATM   12  C   UNK     0      35.746 -23.284   0.000  0.00  0.00           C+0
HETATM   13  N   UNK     0      35.746 -21.744   0.000  0.00  0.00           N+0
HETATM   14  C   UNK     0      34.412 -20.974   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      31.745 -25.594   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      30.411 -26.364   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      30.411 -27.904   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      29.078 -28.674   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      27.744 -27.904   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0      26.410 -28.674   0.000  0.00  0.00           O+0
HETATM   21  O   UNK     0      29.078 -25.594   0.000  0.00  0.00           O+0
HETATM   22  O   UNK     0      31.745 -28.674   0.000  0.00  0.00           O+0
HETATM   23  O   UNK     0      29.078 -30.214   0.000  0.00  0.00           O+0
HETATM   24  O   UNK     0      37.080 -24.054   0.000  0.00  0.00           O+0
HETATM   25  O   UNK     0      34.412 -19.434   0.000  0.00  0.00           O+0
HETATM   26  C   UNK     0      26.410 -20.974   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      26.410 -24.054   0.000  0.00  0.00           C+0
HETATM   28  P   UNK     0      25.076 -27.904   0.000  0.00  0.00           P+0
HETATM   29  O   UNK     0      23.743 -28.674   0.000  0.00  0.00           O+0
HETATM   30  O   UNK     0      25.076 -26.364   0.000  0.00  0.00           O+0
HETATM   31  O   UNK     0      26.410 -27.134   0.000  0.00  0.00           O+0
CONECT    1    2    6   26                                                  
CONECT    2    1    3   27                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5    7                                                  
CONECT    5    4    6   10                                                  
CONECT    6    5    1                                                       
CONECT    7    4    8   15                                                  
CONECT    8    7    9   11                                                  
CONECT    9    8   10   14                                                  
CONECT   10    9    5                                                       
CONECT   11    8   12                                                       
CONECT   12   11   13   24                                                  
CONECT   13   12   14                                                       
CONECT   14   13    9   25                                                  
CONECT   15    7   16                                                       
CONECT   16   15   17   21                                                  
CONECT   17   16   18   22                                                  
CONECT   18   17   19   23                                                  
CONECT   19   18   20                                                       
CONECT   20   19   28                                                       
CONECT   21   16                                                            
CONECT   22   17                                                            
CONECT   23   18                                                            
CONECT   24   12                                                            
CONECT   25   14                                                            
CONECT   26    1                                                            
CONECT   27    2                                                            
CONECT   28   20   29   30   31                                             
CONECT   29   28                                                            
CONECT   30   28                                                            
CONECT   31   28                                                            
MASTER        0    0    0    0    0    0    0    0   31    0   66    0
END

COMPND    HMDB0001142
HETATM    1  C1  UNL     1      -4.534   3.195  -0.040  1.00  0.00           C  
HETATM    2  C2  UNL     1      -3.654   2.001  -0.138  1.00  0.00           C  
HETATM    3  C3  UNL     1      -4.049   0.759   0.230  1.00  0.00           C  
HETATM    4  C4  UNL     1      -3.178  -0.308   0.113  1.00  0.00           C  
HETATM    5  C5  UNL     1      -1.875  -0.183  -0.374  1.00  0.00           C  
HETATM    6  C6  UNL     1      -1.508   1.098  -0.741  1.00  0.00           C  
HETATM    7  C7  UNL     1      -2.383   2.162  -0.622  1.00  0.00           C  
HETATM    8  C8  UNL     1      -1.900   3.509  -1.041  1.00  0.00           C  
HETATM    9  N1  UNL     1      -0.979  -1.267  -0.521  1.00  0.00           N  
HETATM   10  C9  UNL     1       0.375  -1.134  -0.932  1.00  0.00           C  
HETATM   11  C10 UNL     1       1.397  -0.871   0.106  1.00  0.00           C  
HETATM   12  O1  UNL     1       1.368  -1.880   1.108  1.00  0.00           O  
HETATM   13  C11 UNL     1       1.514   0.417   0.783  1.00  0.00           C  
HETATM   14  O2  UNL     1       1.689   1.518  -0.047  1.00  0.00           O  
HETATM   15  C12 UNL     1       2.745   0.484   1.711  1.00  0.00           C  
HETATM   16  O3  UNL     1       2.656   1.719   2.372  1.00  0.00           O  
HETATM   17  C13 UNL     1       4.000   0.523   0.884  1.00  0.00           C  
HETATM   18  O4  UNL     1       3.973   1.556  -0.052  1.00  0.00           O  
HETATM   19  P1  UNL     1       5.398   1.571  -0.963  1.00  0.00           P  
HETATM   20  O5  UNL     1       6.539   1.261  -0.034  1.00  0.00           O  
HETATM   21  O6  UNL     1       5.317   0.451  -2.241  1.00  0.00           O  
HETATM   22  O7  UNL     1       5.553   3.106  -1.662  1.00  0.00           O  
HETATM   23  C14 UNL     1      -1.495  -2.571  -0.132  1.00  0.00           C  
HETATM   24  N2  UNL     1      -0.735  -3.663  -0.238  1.00  0.00           N  
HETATM   25  C15 UNL     1      -1.218  -4.893   0.122  1.00  0.00           C  
HETATM   26  O8  UNL     1      -0.475  -5.894   0.009  1.00  0.00           O  
HETATM   27  N3  UNL     1      -2.451  -5.055   0.589  1.00  0.00           N  
HETATM   28  C16 UNL     1      -3.221  -3.956   0.697  1.00  0.00           C  
HETATM   29  O9  UNL     1      -4.384  -4.085   1.134  1.00  0.00           O  
HETATM   30  C17 UNL     1      -2.774  -2.710   0.347  1.00  0.00           C  
HETATM   31  N4  UNL     1      -3.638  -1.612   0.484  1.00  0.00           N  
HETATM   32  H1  UNL     1      -5.608   2.862   0.059  1.00  0.00           H  
HETATM   33  H2  UNL     1      -4.493   3.813  -0.957  1.00  0.00           H  
HETATM   34  H3  UNL     1      -4.322   3.804   0.844  1.00  0.00           H  
HETATM   35  H4  UNL     1      -5.041   0.593   0.615  1.00  0.00           H  
HETATM   36  H5  UNL     1      -0.537   1.210  -1.145  1.00  0.00           H  
HETATM   37  H6  UNL     1      -2.283   3.794  -2.040  1.00  0.00           H  
HETATM   38  H7  UNL     1      -0.791   3.532  -1.000  1.00  0.00           H  
HETATM   39  H8  UNL     1      -2.233   4.290  -0.302  1.00  0.00           H  
HETATM   40  H9  UNL     1       0.509  -0.324  -1.722  1.00  0.00           H  
HETATM   41  H10 UNL     1       0.754  -2.009  -1.551  1.00  0.00           H  
HETATM   42  H11 UNL     1       2.410  -1.076  -0.378  1.00  0.00           H  
HETATM   43  H12 UNL     1       0.616  -1.733   1.725  1.00  0.00           H  
HETATM   44  H13 UNL     1       0.636   0.645   1.462  1.00  0.00           H  
HETATM   45  H14 UNL     1       1.855   1.221  -0.977  1.00  0.00           H  
HETATM   46  H15 UNL     1       2.732  -0.295   2.466  1.00  0.00           H  
HETATM   47  H16 UNL     1       3.554   2.041   2.659  1.00  0.00           H  
HETATM   48  H17 UNL     1       4.201  -0.411   0.331  1.00  0.00           H  
HETATM   49  H18 UNL     1       4.856   0.740   1.556  1.00  0.00           H  
HETATM   50  H19 UNL     1       6.028  -0.248  -2.146  1.00  0.00           H  
HETATM   51  H20 UNL     1       6.322   3.606  -1.245  1.00  0.00           H  
HETATM   52  H21 UNL     1       0.216  -3.611  -0.593  1.00  0.00           H  
HETATM   53  H22 UNL     1      -2.830  -5.997   0.869  1.00  0.00           H  
HETATM   54  H23 UNL     1      -4.625  -1.693   0.851  1.00  0.00           H  
CONECT    1    2   32   33   34
CONECT    2    3    3    7
CONECT    3    4   35
CONECT    4    5    5   31
CONECT    5    6    9
CONECT    6    7    7   36
CONECT    7    8
CONECT    8   37   38   39
CONECT    9   10   23
CONECT   10   11   40   41
CONECT   11   12   13   42
CONECT   12   43
CONECT   13   14   15   44
CONECT   14   45
CONECT   15   16   17   46
CONECT   16   47
CONECT   17   18   48   49
CONECT   18   19
CONECT   19   20   20   21   22
CONECT   21   50
CONECT   22   51
CONECT   23   24   30   30
CONECT   24   25   52
CONECT   25   26   26   27
CONECT   27   28   53
CONECT   28   29   29   30
CONECT   30   31
CONECT   31   54
END

HMDB0001142
     RDKit          3D
FMNH2
 54 56  0  0  0  0  0  0  0  0999 V2000
   -4.5345    3.1947   -0.0398 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6540    2.0013   -0.1378 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0486    0.7587    0.2299 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1781   -0.3075    0.1131 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8753   -0.1826   -0.3742 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5077    1.0978   -0.7415 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3832    2.1624   -0.6223 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8995    3.5085   -1.0414 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9790   -1.2675   -0.5206 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3754   -1.1339   -0.9317 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3971   -0.8705    0.1056 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.3678   -1.8795    1.1076 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5145    0.4172    0.7827 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.6891    1.5176   -0.0472 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7449    0.4842    1.7112 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.6560    1.7187    2.3720 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0004    0.5234    0.8840 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9734    1.5562   -0.0523 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3976    1.5705   -0.9627 P   0  0  0  0  0  5  0  0  0  0  0  0
    6.5393    1.2607   -0.0341 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3168    0.4509   -2.2414 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5527    3.1057   -1.6625 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4954   -2.5707   -0.1321 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7350   -3.6625   -0.2385 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2179   -4.8932    0.1223 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4748   -5.8944    0.0086 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4510   -5.0549    0.5891 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2208   -3.9560    0.6972 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3839   -4.0853    1.1338 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7744   -2.7105    0.3471 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6381   -1.6119    0.4839 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6080    2.8621    0.0594 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4931    3.8126   -0.9573 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3217    3.8037    0.8442 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0408    0.5931    0.6148 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5369    1.2098   -1.1446 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2830    3.7937   -2.0404 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7912    3.5317   -0.9998 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2325    4.2904   -0.3019 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5093   -0.3241   -1.7219 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7535   -2.0092   -1.5509 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4102   -1.0764   -0.3782 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6159   -1.7333    1.7245 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6360    0.6452    1.4615 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8551    1.2215   -0.9767 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7323   -0.2952    2.4659 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5539    2.0414    2.6594 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2010   -0.4113    0.3308 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8561    0.7397    1.5562 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0282   -0.2481   -2.1459 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3217    3.6058   -1.2452 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2157   -3.6110   -0.5927 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8303   -5.9975    0.8691 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6252   -1.6925    0.8510 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  5  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 11 13  1  0
 13 14  1  0
 13 15  1  0
 15 16  1  0
 15 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  2  0
 19 21  1  0
 19 22  1  0
  9 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  2  0
 25 27  1  0
 27 28  1  0
 28 29  2  0
 28 30  1  0
 30 31  1  0
  7  2  1  0
 30 23  2  0
 31  4  1  0
  1 32  1  0
  1 33  1  0
  1 34  1  0
  3 35  1  0
  6 36  1  0
  8 37  1  0
  8 38  1  0
  8 39  1  0
 10 40  1  0
 10 41  1  0
 11 42  1  6
 12 43  1  0
 13 44  1  1
 14 45  1  0
 15 46  1  1
 16 47  1  0
 17 48  1  0
 17 49  1  0
 21 50  1  0
 22 51  1  0
 24 52  1  0
 27 53  1  0
 31 54  1  0
M  END

Synonyms

Value	Source
1,5-Dihydroriboflavin 5'-(dihydrogen phosphate)	ChEBI
Flavin mononucleotide (reduced)	ChEBI
FMNH	ChEBI
Reduced FMN	ChEBI
1,5-Dihydroriboflavin 5'-(dihydrogen phosphoric acid)	Generator
Reduced flavin mononucleotide	HMDB
Flavin mononucleotide hydroquinone	MeSH, HMDB

Molecular Formula

C₁₇H₂₃N₄O₉P

Average Mass

458.3597

Monoisotopic Mass

458.120264866

IUPAC Name

{[(2R,3S,4S)-5-{7,8-dimethyl-2,4-dioxo-1H,2H,3H,4H,5H,10H-benzo[g]pteridin-10-yl}-2,3,4-trihydroxypentyl]oxy}phosphonic acid

Traditional Name

fmnh(.)

CAS Registry Number

Not Available

SMILES

CC1=CC2=C(C=C1C)N(C[C@H](O)[C@H](O)[C@H](O)COP(O)(O)=O)C1=C(N2)C(=O)NC(=O)N1

InChI Identifier

InChI=1S/C17H23N4O9P/c1-7-3-9-10(4-8(7)2)21(15-13(18-9)16(25)20-17(26)19-15)5-11(22)14(24)12(23)6-30-31(27,28)29/h3-4,11-12,14,18,22-24H,5-6H2,1-2H3,(H2,27,28,29)(H2,19,20,25,26)/t11-,12+,14-/m0/s1

InChI Key

YTNIXZGTHTVJBW-SCRDCRAPSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as flavin nucleotides. These are nucleotides containing a flavin moiety. Flavin is a compound that contains the tricyclic isoalloxazine ring system, which bears 2 oxo groups at the 2- and 4-positions.

Kingdom

Organic compounds

Super Class

Nucleosides, nucleotides, and analogues

Class

Flavin nucleotides

Sub Class

Not Available

Direct Parent

Flavin nucleotides

Alternative Parents

Substituents

Flavin nucleotide
Flavin
Alkyldiarylamine
Monosaccharide phosphate
Pteridine
Pyrimidone
Monoalkyl phosphate
Monosaccharide
Organic phosphoric acid derivative
Phosphoric acid ester
Pyrimidine
Alkyl phosphate
Benzenoid
Vinylogous amide
Heteroaromatic compound
Urea
Secondary alcohol
Lactam
Secondary amine
Azacycle
Organoheterocyclic compound
Polyol
Hydrocarbon derivative
Organonitrogen compound
Amine
Alcohol
Organopnictogen compound
Organic oxygen compound
Organooxygen compound
Organic oxide
Organic nitrogen compound
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

flavin mononucleotide (CHEBI:16048 )

Functional Ontology

Not Available

Physical Properties

State

Expected Solid

Predicted Properties

Property	Value	Source
Water Solubility	0.64 g/L	ALOGPS
logP	-0.17	ALOGPS
logP	-1.1	ChemAxon
logS	-2.8	ALOGPS
pKa (Strongest Acidic)	1.5	ChemAxon
pKa (Strongest Basic)	-0.52	ChemAxon
Physiological Charge	-2	ChemAxon
Hydrogen Acceptor Count	10	ChemAxon
Hydrogen Donor Count	8	ChemAxon
Polar Surface Area	200.92 Å²	ChemAxon
Rotatable Bond Count	7	ChemAxon
Refractivity	118.51 m³·mol⁻¹	ChemAxon
Polarizability	41.65 Å³	ChemAxon
Number of Rings	3	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	ChemAxon

Spectra

Spectrum Type	Description	Splash Key	Deposition Date	View
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	splash10-0007-8985500000-75b16c96ea0f481a249b	2017-09-01	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (3 TMS) - 70eV, Positive	splash10-0a4i-3097008000-4a68372916e7237f45d3	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 LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-0a4l-0134900000-c067efd0cfc36a1e948b	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-0a4i-2391000000-d074adaacd074db90166	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-0a4i-1290000000-c7e71e5446c90cf0229b	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-06fr-9686800000-5cbc632057bde5fb7731	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-002f-9130000000-c711ab545300e0d990b8	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-004i-9000000000-b1fb1fadd3de6e9ce4bb	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-0a4i-0003900000-159698f8e2f51a77a650	2021-09-24	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-01oy-2039100000-3d12d69e3f37a5d16d9d	2021-09-24	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-0a4m-1091000000-4227f41a22b0e7dc3bdc	2021-09-24	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-056r-9000800000-adceeefc6ce022df6b41	2021-09-24	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-004i-9000000000-a5e502a2627af2048a1f	2021-09-24	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-004i-9000000000-92fea992d3a941dc7202	2021-09-24	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

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 (void)	2025-10-23	554.0
Liquid Chromatography	HILIC	Waters Acquity UPLC-BEH Amide column (void)	2025-10-23	554.0
Liquid Chromatography	HILIC	Accucore 150 Amide HILIC (eluted)	2025-10-23	366.3
Liquid Chromatography	HILIC	Accucore 150 Amide HILIC (eluted)	2025-10-23	366.3
Liquid Chromatography	Reversed-phase	Hypersil Gold 1.9 µm C18 (eluted)	2025-10-23	102.2
Liquid Chromatography	Reversed-phase	Hypersil Gold 1.9 µm C18 (eluted)	2025-10-23	102.2
Liquid Chromatography	Reversed-phase	Agilent Zorbax Eclipse Plus C18 (2.1 mm x 150 mm, 3.5 um) (eluted)	2025-10-23	324.3
Liquid Chromatography	Reversed-phase	Agilent Zorbax Eclipse Plus C18 (2.1 mm x 150 mm, 3.5 um) (eluted)	2025-10-23	324.3
Liquid Chromatography	Reversed-phase	XBridge C18 3.5u 2.1x50 mm (eluted)	2025-10-23	303.8
Liquid Chromatography	Reversed-phase	XBridge C18 3.5u 2.1x50 mm (eluted)	2025-10-23	303.8
Liquid Chromatography	Reversed-phase	Ascentis Express C18 (eluted)	2025-10-23	216.3
Liquid Chromatography	Reversed-phase	Ascentis Express C18 (eluted)	2025-10-23	216.3
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (eluted)	2025-10-23	408.4
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (eluted)	2025-10-23	408.4
Liquid Chromatography	HILIC	Merck SeQuant ZIC-HILIC (eluted)	2025-10-23	734.3
Liquid Chromatography	HILIC	Merck SeQuant ZIC-HILIC (eluted)	2025-10-23	734.3
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC (eluted)	2025-10-23	310.7
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC (eluted)	2025-10-23	310.7
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (eluted)	2025-10-23	155.8
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (eluted)	2025-10-23	155.8
Liquid Chromatography	HILIC	Merck SeQuant ZIC-HILIC (eluted)	2025-10-23	331.5
Liquid Chromatography	HILIC	Merck SeQuant ZIC-HILIC (eluted)	2025-10-23	331.5
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (eluted)	2025-10-23	171.5
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (eluted)	2025-10-23	171.5
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (eluted)	2025-10-23	60.5
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (eluted)	2025-10-23	60.5
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC column (eluted)	2025-10-23	488.8
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC column (eluted)	2025-10-23	488.8
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC column (eluted)	2025-10-23	676.4
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC column (eluted)	2025-10-23	676.4
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (eluted)	2025-10-23	52.6
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (eluted)	2025-10-23	52.6
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (eluted)	2025-10-23	249.5
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (eluted)	2025-10-23	249.5
Liquid Chromatography	Reversed-phase	Kinetex Core-Shell C18 2.6 um, 3.0 x 100 mm, Phenomenex (eluted)	2025-10-23	693.1
Liquid Chromatography	Reversed-phase	Kinetex Core-Shell C18 2.6 um, 3.0 x 100 mm, Phenomenex (eluted)	2025-10-23	693.1
Liquid Chromatography	Reversed-phase	Waters Atlantis T3 (2.1 x 150 mm, 5 um) (eluted)	2025-10-23	618.0
Liquid Chromatography	Reversed-phase	Waters Atlantis T3 (2.1 x 150 mm, 5 um) (eluted)	2025-10-23	618.0

Retention Indices

Chromatography Type	Peak Label	SMILES	Stationary Phase	Deposition Date	Retention Index
Gas Chromatography	FMNH2_TMS_1	CC1=CC2=C(C=C1C)N(C[C@H](O[Si](C)(C)C)[C@H](O)[C@H](O)COP(=O)(O)O)C1=C(N2)C(=O)[NH]C(=O)[NH]1	standard non polar	2025-10-24	1138.75
Gas Chromatography	FMNH2_TMS_2	CC1=CC2=C(C=C1C)N(C[C@H](O)[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O)O)C1=C(N2)C(=O)[NH]C(=O)[NH]1	standard non polar	2025-10-24	2424.2
Gas Chromatography	FMNH2_TMS_3	CC1=CC2=C(C=C1C)N(C[C@H](O)[C@H](O)[C@@H](COP(=O)(O)O)O[Si](C)(C)C)C1=C(N2)C(=O)[NH]C(=O)[NH]1	standard non polar	2025-10-24	1525.99
Gas Chromatography	FMNH2_TMS_4	CC1=CC2=C(C=C1C)N(C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)O[Si](C)(C)C)C1=C(N2)C(=O)[NH]C(=O)[NH]1	standard non polar	2025-10-24	2086.33
Gas Chromatography	FMNH2_TMS_5	CC1=CC2=C(C=C1C)N([Si](C)(C)C)C1=C([NH]C(=O)[NH]C1=O)N2C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)O	standard non polar	2025-10-24	2117.92
Gas Chromatography	FMNH2_TMS_6	CC1=CC2=C(C=C1C)N(C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)O)C1=C(N2)C(=O)N([Si](C)(C)C)C(=O)[NH]1	standard non polar	2025-10-24	1865.53
Gas Chromatography	FMNH2_TMS_7	CC1=CC2=C(C=C1C)N(C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)O)C1=C(N2)C(=O)[NH]C(=O)N1[Si](C)(C)C	standard non polar	2025-10-24	2232.91
Gas Chromatography	FMNH2_TMS_8	CC1=CC2=C(C=C1C)N(C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O)O)C1=C(N2)C(=O)[NH]C(=O)[NH]1	standard non polar	2025-10-24	2577.02
Gas Chromatography	FMNH2_TMS_9	CC1=CC2=C(C=C1C)N(C[C@H](O[Si](C)(C)C)[C@H](O)[C@@H](COP(=O)(O)O)O[Si](C)(C)C)C1=C(N2)C(=O)[NH]C(=O)[NH]1	standard non polar	2025-10-24	1274.13
Gas Chromatography	FMNH2_TMS_10	CC1=CC2=C(C=C1C)N(C[C@H](O[Si](C)(C)C)[C@H](O)[C@H](O)COP(=O)(O)O[Si](C)(C)C)C1=C(N2)C(=O)[NH]C(=O)[NH]1	standard non polar	2025-10-24	1662.63
Gas Chromatography	FMNH2_TMS_11	CC1=CC2=C(C=C1C)N(C[C@H](O[Si](C)(C)C)[C@H](O)[C@H](O)COP(=O)(O)O)C1=C(N2)C(=O)[NH]C(=O)N1[Si](C)(C)C	standard non polar	2025-10-24	1735.35
Gas Chromatography	FMNH2_TMS_12	CC1=CC2=C(C=C1C)N(C[C@H](O[Si](C)(C)C)[C@H](O)[C@H](O)COP(=O)(O)O)C1=C(N2)C(=O)N([Si](C)(C)C)C(=O)[NH]1	standard non polar	2025-10-24	2378.76
Gas Chromatography	FMNH2_TMS_13	CC1=CC2=C(C=C1C)N([Si](C)(C)C)C1=C([NH]C(=O)[NH]C1=O)N2C[C@H](O[Si](C)(C)C)[C@H](O)[C@H](O)COP(=O)(O)O	standard non polar	2025-10-24	2188.38
Gas Chromatography	FMNH2_TMS_14	CC1=CC2=C(C=C1C)N(C[C@H](O)[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O)O[Si](C)(C)C)C1=C(N2)C(=O)[NH]C(=O)[NH]1	standard non polar	2025-10-24	2777.37
Gas Chromatography	FMNH2_TMS_15	CC1=CC2=C(C=C1C)N(C[C@H](O)[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O)O[Si](C)(C)C)C1=C(N2)C(=O)[NH]C(=O)[NH]1	standard non polar	2025-10-24	3311.74
Gas Chromatography	FMNH2_TMS_16	CC1=CC2=C(C=C1C)N(C[C@H](O)[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O)O)C1=C(N2)C(=O)[NH]C(=O)N1[Si](C)(C)C	standard non polar	2025-10-24	2626.51
Gas Chromatography	FMNH2_TMS_17	CC1=CC2=C(C=C1C)N(C[C@H](O)[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O)O)C1=C(N2)C(=O)N([Si](C)(C)C)C(=O)[NH]1	standard non polar	2025-10-24	1893.29
Gas Chromatography	FMNH2_TMS_18	CC1=CC2=C(C=C1C)N([Si](C)(C)C)C1=C([NH]C(=O)[NH]C1=O)N2C[C@H](O)[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O)O	standard non polar	2025-10-24	1576.68
Gas Chromatography	FMNH2_TMS_19	CC1=CC2=C(C=C1C)N(C[C@H](O)[C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C)C1=C(N2)C(=O)[NH]C(=O)[NH]1	standard non polar	2025-10-24	1781.18
Gas Chromatography	FMNH2_TMS_20	CC1=CC2=C(C=C1C)N(C[C@H](O)[C@H](O)[C@@H](COP(=O)(O)O)O[Si](C)(C)C)C1=C(N2)C(=O)[NH]C(=O)N1[Si](C)(C)C	standard non polar	2025-10-24	913.493
Gas Chromatography	FMNH2_TMS_21	CC1=CC2=C(C=C1C)N(C[C@H](O)[C@H](O)[C@@H](COP(=O)(O)O)O[Si](C)(C)C)C1=C(N2)C(=O)N([Si](C)(C)C)C(=O)[NH]1	standard non polar	2025-10-24	1944.88
Gas Chromatography	FMNH2_TMS_22	CC1=CC2=C(C=C1C)N([Si](C)(C)C)C1=C([NH]C(=O)[NH]C1=O)N2C[C@H](O)[C@H](O)[C@@H](COP(=O)(O)O)O[Si](C)(C)C	standard non polar	2025-10-24	1772.82
Gas Chromatography	FMNH2_TMS_23	CC1=CC2=C(C=C1C)N(C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C1=C(N2)C(=O)[NH]C(=O)[NH]1	standard non polar	2025-10-24	2655.41
Gas Chromatography	FMNH2_TMS_24	CC1=CC2=C(C=C1C)N(C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)O[Si](C)(C)C)C1=C(N2)C(=O)[NH]C(=O)N1[Si](C)(C)C	standard non polar	2025-10-24	2173.72
Gas Chromatography	FMNH2_TMS_25	CC1=CC2=C(C=C1C)N(C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)O[Si](C)(C)C)C1=C(N2)C(=O)N([Si](C)(C)C)C(=O)[NH]1	standard non polar	2025-10-24	1982.61
Gas Chromatography	FMNH2_TMS_26	CC1=CC2=C(C=C1C)N([Si](C)(C)C)C1=C([NH]C(=O)[NH]C1=O)N2C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)O[Si](C)(C)C	standard non polar	2025-10-24	2808.34
Gas Chromatography	FMNH2_TMS_27	CC1=CC2=C(C=C1C)N([Si](C)(C)C)C1=C(N2C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)O)N([Si](C)(C)C)C(=O)[NH]C1=O	standard non polar	2025-10-24	2878.77
Gas Chromatography	FMNH2_TMS_28	CC1=CC2=C(C=C1C)N([Si](C)(C)C)C1=C([NH]C(=O)N([Si](C)(C)C)C1=O)N2C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)O	standard non polar	2025-10-24	2301.69
Gas Chromatography	FMNH2_TMS_29	CC1=CC2=C(C=C1C)N(C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)O)C1=C(N2)C(=O)N([Si](C)(C)C)C(=O)N1[Si](C)(C)C	standard non polar	2025-10-24	1448.03
Gas Chromatography	FMNH2_TMS_30	CC1=CC2=C(C=C1C)N(C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O)O[Si](C)(C)C)C1=C(N2)C(=O)[NH]C(=O)[NH]1	standard non polar	2025-10-24	2436.86
Gas Chromatography	FMNH2_TMS_31	CC1=CC2=C(C=C1C)N(C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O)O[Si](C)(C)C)C1=C(N2)C(=O)[NH]C(=O)[NH]1	standard non polar	2025-10-24	2302.16
Gas Chromatography	FMNH2_TMS_32	CC1=CC2=C(C=C1C)N(C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O)O)C1=C(N2)C(=O)[NH]C(=O)N1[Si](C)(C)C	standard non polar	2025-10-24	3274.82
Gas Chromatography	FMNH2_TMS_33	CC1=CC2=C(C=C1C)N(C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O)O)C1=C(N2)C(=O)N([Si](C)(C)C)C(=O)[NH]1	standard non polar	2025-10-24	1282.97
Gas Chromatography	FMNH2_TMS_34	CC1=CC2=C(C=C1C)N([Si](C)(C)C)C1=C([NH]C(=O)[NH]C1=O)N2C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O)O	standard non polar	2025-10-24	2341.36
Gas Chromatography	FMNH2_TMS_35	CC1=CC2=C(C=C1C)N(C[C@H](O[Si](C)(C)C)[C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C)C1=C(N2)C(=O)[NH]C(=O)[NH]1	standard non polar	2025-10-24	2312.09
Gas Chromatography	FMNH2_TMS_36	CC1=CC2=C(C=C1C)N(C[C@H](O[Si](C)(C)C)[C@H](O)[C@@H](COP(=O)(O)O)O[Si](C)(C)C)C1=C(N2)C(=O)[NH]C(=O)N1[Si](C)(C)C	standard non polar	2025-10-24	2589.04
Gas Chromatography	FMNH2_TMS_37	CC1=CC2=C(C=C1C)N(C[C@H](O[Si](C)(C)C)[C@H](O)[C@@H](COP(=O)(O)O)O[Si](C)(C)C)C1=C(N2)C(=O)N([Si](C)(C)C)C(=O)[NH]1	standard non polar	2025-10-24	1702.16
Gas Chromatography	FMNH2_TMS_38	CC1=CC2=C(C=C1C)N([Si](C)(C)C)C1=C([NH]C(=O)[NH]C1=O)N2C[C@H](O[Si](C)(C)C)[C@H](O)[C@@H](COP(=O)(O)O)O[Si](C)(C)C	standard non polar	2025-10-24	1911.16
Gas Chromatography	FMNH2_TMS_39	CC1=CC2=C(C=C1C)N(C[C@H](O[Si](C)(C)C)[C@H](O)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C1=C(N2)C(=O)[NH]C(=O)[NH]1	standard non polar	2025-10-24	1294.35
Gas Chromatography	FMNH2_TMS_40	CC1=CC2=C(C=C1C)N(C[C@H](O[Si](C)(C)C)[C@H](O)[C@H](O)COP(=O)(O)O[Si](C)(C)C)C1=C(N2)C(=O)[NH]C(=O)N1[Si](C)(C)C	standard non polar	2025-10-24	2827.54
Gas Chromatography	FMNH2_TMS_41	CC1=CC2=C(C=C1C)N(C[C@H](O[Si](C)(C)C)[C@H](O)[C@H](O)COP(=O)(O)O[Si](C)(C)C)C1=C(N2)C(=O)N([Si](C)(C)C)C(=O)[NH]1	standard non polar	2025-10-24	1223.59
Gas Chromatography	FMNH2_TMS_42	CC1=CC2=C(C=C1C)N([Si](C)(C)C)C1=C([NH]C(=O)[NH]C1=O)N2C[C@H](O[Si](C)(C)C)[C@H](O)[C@H](O)COP(=O)(O)O[Si](C)(C)C	standard non polar	2025-10-24	1817.27
Gas Chromatography	FMNH2_TMS_43	CC1=CC2=C(C=C1C)N(C[C@H](O[Si](C)(C)C)[C@H](O)[C@H](O)COP(=O)(O)O)C1=C(N2)C(=O)N([Si](C)(C)C)C(=O)N1[Si](C)(C)C	standard non polar	2025-10-24	3172.83
Gas Chromatography	FMNH2_TMS_44	CC1=CC2=C(C=C1C)N([Si](C)(C)C)C1=C(N2C[C@H](O[Si](C)(C)C)[C@H](O)[C@H](O)COP(=O)(O)O)N([Si](C)(C)C)C(=O)[NH]C1=O	standard non polar	2025-10-24	2063.29
Gas Chromatography	FMNH2_TMS_45	CC1=CC2=C(C=C1C)N([Si](C)(C)C)C1=C([NH]C(=O)N([Si](C)(C)C)C1=O)N2C[C@H](O[Si](C)(C)C)[C@H](O)[C@H](O)COP(=O)(O)O	standard non polar	2025-10-24	1972.48
Gas Chromatography	FMNH2_TMS_46	CC1=CC2=C(C=C1C)N(C[C@H](O)[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C)C1=C(N2)C(=O)[NH]C(=O)[NH]1	standard non polar	2025-10-24	1638.14
Gas Chromatography	FMNH2_TMS_47	CC1=CC2=C(C=C1C)N(C[C@H](O)[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O)O[Si](C)(C)C)C1=C(N2)C(=O)[NH]C(=O)N1[Si](C)(C)C	standard non polar	2025-10-24	2294.37
Gas Chromatography	FMNH2_TMS_48	CC1=CC2=C(C=C1C)N(C[C@H](O)[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O)O[Si](C)(C)C)C1=C(N2)C(=O)N([Si](C)(C)C)C(=O)[NH]1	standard non polar	2025-10-24	2046.23
Gas Chromatography	FMNH2_TMS_49	CC1=CC2=C(C=C1C)N([Si](C)(C)C)C1=C([NH]C(=O)[NH]C1=O)N2C[C@H](O)[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O)O[Si](C)(C)C	standard non polar	2025-10-24	-206.438
Gas Chromatography	FMNH2_TMS_50	CC1=CC2=C(C=C1C)N(C[C@H](O)[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C1=C(N2)C(=O)[NH]C(=O)[NH]1	standard non polar	2025-10-24	2220.83
Gas Chromatography	FMNH2_TMS_51	CC1=CC2=C(C=C1C)N(C[C@H](O)[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O)O[Si](C)(C)C)C1=C(N2)C(=O)[NH]C(=O)N1[Si](C)(C)C	standard non polar	2025-10-24	1787.39
Gas Chromatography	FMNH2_TMS_52	CC1=CC2=C(C=C1C)N(C[C@H](O)[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O)O[Si](C)(C)C)C1=C(N2)C(=O)N([Si](C)(C)C)C(=O)[NH]1	standard non polar	2025-10-24	2221.92
Gas Chromatography	FMNH2_TMS_53	CC1=CC2=C(C=C1C)N([Si](C)(C)C)C1=C([NH]C(=O)[NH]C1=O)N2C[C@H](O)[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O)O[Si](C)(C)C	standard non polar	2025-10-24	2184.81
Gas Chromatography	FMNH2_TMS_54	CC1=CC2=C(C=C1C)N(C[C@H](O)[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O)O)C1=C(N2)C(=O)N([Si](C)(C)C)C(=O)N1[Si](C)(C)C	standard non polar	2025-10-24	1556.14
Gas Chromatography	FMNH2_TMS_55	CC1=CC2=C(C=C1C)N([Si](C)(C)C)C1=C(N2C[C@H](O)[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O)O)N([Si](C)(C)C)C(=O)[NH]C1=O	standard non polar	2025-10-24	1050.71
Gas Chromatography	FMNH2_TMS_56	CC1=CC2=C(C=C1C)N([Si](C)(C)C)C1=C([NH]C(=O)N([Si](C)(C)C)C1=O)N2C[C@H](O)[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O)O	standard non polar	2025-10-24	1247.32
Gas Chromatography	FMNH2_TMS_57	CC1=CC2=C(C=C1C)N(C[C@H](O)[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)C1=C(N2)C(=O)[NH]C(=O)[NH]1	standard non polar	2025-10-24	1964.31
Gas Chromatography	FMNH2_TMS_58	CC1=CC2=C(C=C1C)N(C[C@H](O)[C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C)C1=C(N2)C(=O)[NH]C(=O)N1[Si](C)(C)C	standard non polar	2025-10-24	1005.46
Gas Chromatography	FMNH2_TMS_59	CC1=CC2=C(C=C1C)N(C[C@H](O)[C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C)C1=C(N2)C(=O)N([Si](C)(C)C)C(=O)[NH]1	standard non polar	2025-10-24	2417.74
Gas Chromatography	FMNH2_TMS_60	CC1=CC2=C(C=C1C)N([Si](C)(C)C)C1=C([NH]C(=O)[NH]C1=O)N2C[C@H](O)[C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	1929.8
Gas Chromatography	FMNH2_TMS_61	CC1=CC2=C(C=C1C)N(C[C@H](O)[C@H](O)[C@@H](COP(=O)(O)O)O[Si](C)(C)C)C1=C(N2)C(=O)N([Si](C)(C)C)C(=O)N1[Si](C)(C)C	standard non polar	2025-10-24	1592.17
Gas Chromatography	FMNH2_TMS_62	CC1=CC2=C(C=C1C)N([Si](C)(C)C)C1=C(N2C[C@H](O)[C@H](O)[C@@H](COP(=O)(O)O)O[Si](C)(C)C)N([Si](C)(C)C)C(=O)[NH]C1=O	standard non polar	2025-10-24	2170.28
Gas Chromatography	FMNH2_TMS_63	CC1=CC2=C(C=C1C)N([Si](C)(C)C)C1=C([NH]C(=O)N([Si](C)(C)C)C1=O)N2C[C@H](O)[C@H](O)[C@@H](COP(=O)(O)O)O[Si](C)(C)C	standard non polar	2025-10-24	2579.59
Gas Chromatography	FMNH2_TMS_64	CC1=CC2=C(C=C1C)N(C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C1=C(N2)C(=O)[NH]C(=O)N1[Si](C)(C)C	standard non polar	2025-10-24	2035.22
Gas Chromatography	FMNH2_TMS_65	CC1=CC2=C(C=C1C)N(C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C1=C(N2)C(=O)N([Si](C)(C)C)C(=O)[NH]1	standard non polar	2025-10-24	-724.749
Gas Chromatography	FMNH2_TMS_66	CC1=CC2=C(C=C1C)N([Si](C)(C)C)C1=C([NH]C(=O)[NH]C1=O)N2C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	2147.71
Gas Chromatography	FMNH2_TMS_67	CC1=CC2=C(C=C1C)N(C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)O[Si](C)(C)C)C1=C(N2)C(=O)N([Si](C)(C)C)C(=O)N1[Si](C)(C)C	standard non polar	2025-10-24	2608.89
Gas Chromatography	FMNH2_TMS_68	CC1=CC2=C(C=C1C)N([Si](C)(C)C)C1=C(N2C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)O[Si](C)(C)C)N([Si](C)(C)C)C(=O)[NH]C1=O	standard non polar	2025-10-24	1399.06
Gas Chromatography	FMNH2_TMS_69	CC1=CC2=C(C=C1C)N([Si](C)(C)C)C1=C([NH]C(=O)N([Si](C)(C)C)C1=O)N2C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)O[Si](C)(C)C	standard non polar	2025-10-24	3034.95
Gas Chromatography	FMNH2_TMS_70	CC1=CC2=C(C=C1C)N([Si](C)(C)C)C1=C(N2C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)O)N([Si](C)(C)C)C(=O)N([Si](C)(C)C)C1=O	standard non polar	2025-10-24	2349.06
Gas Chromatography	FMNH2_TMS_71	CC1=CC2=C(C=C1C)N(C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C)C1=C(N2)C(=O)[NH]C(=O)[NH]1	standard non polar	2025-10-24	1002.73
Gas Chromatography	FMNH2_TMS_72	CC1=CC2=C(C=C1C)N(C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O)O[Si](C)(C)C)C1=C(N2)C(=O)[NH]C(=O)N1[Si](C)(C)C	standard non polar	2025-10-24	1923.99
Gas Chromatography	FMNH2_TMS_73	CC1=CC2=C(C=C1C)N(C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O)O[Si](C)(C)C)C1=C(N2)C(=O)N([Si](C)(C)C)C(=O)[NH]1	standard non polar	2025-10-24	2818.76
Gas Chromatography	FMNH2_TMS_74	CC1=CC2=C(C=C1C)N([Si](C)(C)C)C1=C([NH]C(=O)[NH]C1=O)N2C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O)O[Si](C)(C)C	standard non polar	2025-10-24	1989.45
Gas Chromatography	FMNH2_TMS_75	CC1=CC2=C(C=C1C)N(C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C1=C(N2)C(=O)[NH]C(=O)[NH]1	standard non polar	2025-10-24	2681.55
Gas Chromatography	FMNH2_TMS_76	CC1=CC2=C(C=C1C)N(C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O)O[Si](C)(C)C)C1=C(N2)C(=O)[NH]C(=O)N1[Si](C)(C)C	standard non polar	2025-10-24	1236.8
Gas Chromatography	FMNH2_TMS_77	CC1=CC2=C(C=C1C)N(C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O)O[Si](C)(C)C)C1=C(N2)C(=O)N([Si](C)(C)C)C(=O)[NH]1	standard non polar	2025-10-24	1546.04
Gas Chromatography	FMNH2_TMS_78	CC1=CC2=C(C=C1C)N([Si](C)(C)C)C1=C([NH]C(=O)[NH]C1=O)N2C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O)O[Si](C)(C)C	standard non polar	2025-10-24	2628.09
Gas Chromatography	FMNH2_TMS_79	CC1=CC2=C(C=C1C)N(C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O)O)C1=C(N2)C(=O)N([Si](C)(C)C)C(=O)N1[Si](C)(C)C	standard non polar	2025-10-24	2457.95
Gas Chromatography	FMNH2_TMS_80	CC1=CC2=C(C=C1C)N([Si](C)(C)C)C1=C(N2C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O)O)N([Si](C)(C)C)C(=O)[NH]C1=O	standard non polar	2025-10-24	2274.29
Gas Chromatography	FMNH2_TMS_81	CC1=CC2=C(C=C1C)N([Si](C)(C)C)C1=C([NH]C(=O)N([Si](C)(C)C)C1=O)N2C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O)O	standard non polar	2025-10-24	1510.86
Gas Chromatography	FMNH2_TMS_82	CC1=CC2=C(C=C1C)N(C[C@H](O[Si](C)(C)C)[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)C1=C(N2)C(=O)[NH]C(=O)[NH]1	standard non polar	2025-10-24	1108.97
Gas Chromatography	FMNH2_TMS_83	CC1=CC2=C(C=C1C)N(C[C@H](O[Si](C)(C)C)[C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C)C1=C(N2)C(=O)[NH]C(=O)N1[Si](C)(C)C	standard non polar	2025-10-24	1668.28
Gas Chromatography	FMNH2_TMS_84	CC1=CC2=C(C=C1C)N(C[C@H](O[Si](C)(C)C)[C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C)C1=C(N2)C(=O)N([Si](C)(C)C)C(=O)[NH]1	standard non polar	2025-10-24	1597.28
Gas Chromatography	FMNH2_TMS_85	CC1=CC2=C(C=C1C)N([Si](C)(C)C)C1=C([NH]C(=O)[NH]C1=O)N2C[C@H](O[Si](C)(C)C)[C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	2128.34
Gas Chromatography	FMNH2_TMS_86	CC1=CC2=C(C=C1C)N(C[C@H](O[Si](C)(C)C)[C@H](O)[C@@H](COP(=O)(O)O)O[Si](C)(C)C)C1=C(N2)C(=O)N([Si](C)(C)C)C(=O)N1[Si](C)(C)C	standard non polar	2025-10-24	1869.48
Gas Chromatography	FMNH2_TMS_87	CC1=CC2=C(C=C1C)N([Si](C)(C)C)C1=C(N2C[C@H](O[Si](C)(C)C)[C@H](O)[C@@H](COP(=O)(O)O)O[Si](C)(C)C)N([Si](C)(C)C)C(=O)[NH]C1=O	standard non polar	2025-10-24	1840.91
Gas Chromatography	FMNH2_TMS_88	CC1=CC2=C(C=C1C)N([Si](C)(C)C)C1=C([NH]C(=O)N([Si](C)(C)C)C1=O)N2C[C@H](O[Si](C)(C)C)[C@H](O)[C@@H](COP(=O)(O)O)O[Si](C)(C)C	standard non polar	2025-10-24	2612.65
Gas Chromatography	FMNH2_TMS_89	CC1=CC2=C(C=C1C)N(C[C@H](O[Si](C)(C)C)[C@H](O)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C1=C(N2)C(=O)[NH]C(=O)N1[Si](C)(C)C	standard non polar	2025-10-24	1681.4
Gas Chromatography	FMNH2_TMS_90	CC1=CC2=C(C=C1C)N(C[C@H](O[Si](C)(C)C)[C@H](O)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C1=C(N2)C(=O)N([Si](C)(C)C)C(=O)[NH]1	standard non polar	2025-10-24	1842.36
Gas Chromatography	FMNH2_TMS_91	CC1=CC2=C(C=C1C)N([Si](C)(C)C)C1=C([NH]C(=O)[NH]C1=O)N2C[C@H](O[Si](C)(C)C)[C@H](O)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	2062.78
Gas Chromatography	FMNH2_TMS_92	CC1=CC2=C(C=C1C)N(C[C@H](O[Si](C)(C)C)[C@H](O)[C@H](O)COP(=O)(O)O[Si](C)(C)C)C1=C(N2)C(=O)N([Si](C)(C)C)C(=O)N1[Si](C)(C)C	standard non polar	2025-10-24	1039.4
Gas Chromatography	FMNH2_TMS_93	CC1=CC2=C(C=C1C)N([Si](C)(C)C)C1=C(N2C[C@H](O[Si](C)(C)C)[C@H](O)[C@H](O)COP(=O)(O)O[Si](C)(C)C)N([Si](C)(C)C)C(=O)[NH]C1=O	standard non polar	2025-10-24	1717.78
Gas Chromatography	FMNH2_TMS_94	CC1=CC2=C(C=C1C)N([Si](C)(C)C)C1=C([NH]C(=O)N([Si](C)(C)C)C1=O)N2C[C@H](O[Si](C)(C)C)[C@H](O)[C@H](O)COP(=O)(O)O[Si](C)(C)C	standard non polar	2025-10-24	1889.49
Gas Chromatography	FMNH2_TMS_95	CC1=CC2=C(C=C1C)N([Si](C)(C)C)C1=C(N2C[C@H](O[Si](C)(C)C)[C@H](O)[C@H](O)COP(=O)(O)O)N([Si](C)(C)C)C(=O)N([Si](C)(C)C)C1=O	standard non polar	2025-10-24	1689.15
Gas Chromatography	FMNH2_TMS_96	CC1=CC2=C(C=C1C)N(C[C@H](O)[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)C1=C(N2)C(=O)[NH]C(=O)[NH]1	standard non polar	2025-10-24	2259.7
Gas Chromatography	FMNH2_TMS_97	CC1=CC2=C(C=C1C)N(C[C@H](O)[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C)C1=C(N2)C(=O)[NH]C(=O)N1[Si](C)(C)C	standard non polar	2025-10-24	2032.44
Gas Chromatography	FMNH2_TMS_98	CC1=CC2=C(C=C1C)N(C[C@H](O)[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C)C1=C(N2)C(=O)N([Si](C)(C)C)C(=O)[NH]1	standard non polar	2025-10-24	2080.93
Gas Chromatography	FMNH2_TMS_99	CC1=CC2=C(C=C1C)N([Si](C)(C)C)C1=C([NH]C(=O)[NH]C1=O)N2C[C@H](O)[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	1385.72
Gas Chromatography	FMNH2_TMS_100	CC1=CC2=C(C=C1C)N(C[C@H](O)[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O)O[Si](C)(C)C)C1=C(N2)C(=O)N([Si](C)(C)C)C(=O)N1[Si](C)(C)C	standard non polar	2025-10-24	446.964
Gas Chromatography	FMNH2_TMS_101	CC1=CC2=C(C=C1C)N([Si](C)(C)C)C1=C(N2C[C@H](O)[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O)O[Si](C)(C)C)N([Si](C)(C)C)C(=O)[NH]C1=O	standard non polar	2025-10-24	2619.17
Gas Chromatography	FMNH2_TMS_102	CC1=CC2=C(C=C1C)N([Si](C)(C)C)C1=C([NH]C(=O)N([Si](C)(C)C)C1=O)N2C[C@H](O)[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O)O[Si](C)(C)C	standard non polar	2025-10-24	3293.05
Gas Chromatography	FMNH2_TMS_103	CC1=CC2=C(C=C1C)N(C[C@H](O)[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C1=C(N2)C(=O)[NH]C(=O)N1[Si](C)(C)C	standard non polar	2025-10-24	403.179
Gas Chromatography	FMNH2_TMS_104	CC1=CC2=C(C=C1C)N(C[C@H](O)[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C1=C(N2)C(=O)N([Si](C)(C)C)C(=O)[NH]1	standard non polar	2025-10-24	873.196
Gas Chromatography	FMNH2_TMS_105	CC1=CC2=C(C=C1C)N([Si](C)(C)C)C1=C([NH]C(=O)[NH]C1=O)N2C[C@H](O)[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	3365.88
Gas Chromatography	FMNH2_TMS_106	CC1=CC2=C(C=C1C)N(C[C@H](O)[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O)O[Si](C)(C)C)C1=C(N2)C(=O)N([Si](C)(C)C)C(=O)N1[Si](C)(C)C	standard non polar	2025-10-24	2406.8
Gas Chromatography	FMNH2_TMS_107	CC1=CC2=C(C=C1C)N([Si](C)(C)C)C1=C(N2C[C@H](O)[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O)O[Si](C)(C)C)N([Si](C)(C)C)C(=O)[NH]C1=O	standard non polar	2025-10-24	2003.87
Gas Chromatography	FMNH2_TMS_108	CC1=CC2=C(C=C1C)N([Si](C)(C)C)C1=C([NH]C(=O)N([Si](C)(C)C)C1=O)N2C[C@H](O)[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O)O[Si](C)(C)C	standard non polar	2025-10-24	2081.67
Gas Chromatography	FMNH2_TMS_109	CC1=CC2=C(C=C1C)N([Si](C)(C)C)C1=C(N2C[C@H](O)[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O)O)N([Si](C)(C)C)C(=O)N([Si](C)(C)C)C1=O	standard non polar	2025-10-24	2735.65
Gas Chromatography	FMNH2_TMS_110	CC1=CC2=C(C=C1C)N(C[C@H](O)[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)C1=C(N2)C(=O)[NH]C(=O)N1[Si](C)(C)C	standard non polar	2025-10-24	2411.42
Gas Chromatography	FMNH2_TMS_111	CC1=CC2=C(C=C1C)N(C[C@H](O)[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)C1=C(N2)C(=O)N([Si](C)(C)C)C(=O)[NH]1	standard non polar	2025-10-24	1866.52
Gas Chromatography	FMNH2_TMS_112	CC1=CC2=C(C=C1C)N([Si](C)(C)C)C1=C([NH]C(=O)[NH]C1=O)N2C[C@H](O)[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	609.627
Gas Chromatography	FMNH2_TMS_113	CC1=CC2=C(C=C1C)N(C[C@H](O)[C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C)C1=C(N2)C(=O)N([Si](C)(C)C)C(=O)N1[Si](C)(C)C	standard non polar	2025-10-24	2833.48
Gas Chromatography	FMNH2_TMS_114	CC1=CC2=C(C=C1C)N([Si](C)(C)C)C1=C(N2C[C@H](O)[C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C)N([Si](C)(C)C)C(=O)[NH]C1=O	standard non polar	2025-10-24	2218.08
Gas Chromatography	FMNH2_TMS_115	CC1=CC2=C(C=C1C)N([Si](C)(C)C)C1=C([NH]C(=O)N([Si](C)(C)C)C1=O)N2C[C@H](O)[C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	940.604
Gas Chromatography	FMNH2_TMS_116	CC1=CC2=C(C=C1C)N([Si](C)(C)C)C1=C(N2C[C@H](O)[C@H](O)[C@@H](COP(=O)(O)O)O[Si](C)(C)C)N([Si](C)(C)C)C(=O)N([Si](C)(C)C)C1=O	standard non polar	2025-10-24	3261.07
Gas Chromatography	FMNH2_TMS_117	CC1=CC2=C(C=C1C)N(C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C1=C(N2)C(=O)N([Si](C)(C)C)C(=O)N1[Si](C)(C)C	standard non polar	2025-10-24	1507.39
Gas Chromatography	FMNH2_TMS_118	CC1=CC2=C(C=C1C)N([Si](C)(C)C)C1=C(N2C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)N([Si](C)(C)C)C(=O)[NH]C1=O	standard non polar	2025-10-24	2721.05
Gas Chromatography	FMNH2_TMS_119	CC1=CC2=C(C=C1C)N([Si](C)(C)C)C1=C([NH]C(=O)N([Si](C)(C)C)C1=O)N2C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	1641.73
Gas Chromatography	FMNH2_TMS_120	CC1=CC2=C(C=C1C)N([Si](C)(C)C)C1=C(N2C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)O[Si](C)(C)C)N([Si](C)(C)C)C(=O)N([Si](C)(C)C)C1=O	standard non polar	2025-10-24	1812.13
Gas Chromatography	FMNH2_TMS_121	CC1=CC2=C(C=C1C)N(C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)C1=C(N2)C(=O)[NH]C(=O)[NH]1	standard non polar	2025-10-24	2080.29
Gas Chromatography	FMNH2_TMS_122	CC1=CC2=C(C=C1C)N(C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C)C1=C(N2)C(=O)[NH]C(=O)N1[Si](C)(C)C	standard non polar	2025-10-24	1208.54
Gas Chromatography	FMNH2_TMS_123	CC1=CC2=C(C=C1C)N(C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C)C1=C(N2)C(=O)N([Si](C)(C)C)C(=O)[NH]1	standard non polar	2025-10-24	1538.23
Gas Chromatography	FMNH2_TMS_124	CC1=CC2=C(C=C1C)N([Si](C)(C)C)C1=C([NH]C(=O)[NH]C1=O)N2C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	1489.17
Gas Chromatography	FMNH2_TMS_125	CC1=CC2=C(C=C1C)N(C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O)O[Si](C)(C)C)C1=C(N2)C(=O)N([Si](C)(C)C)C(=O)N1[Si](C)(C)C	standard non polar	2025-10-24	1429.19
Gas Chromatography	FMNH2_TMS_126	CC1=CC2=C(C=C1C)N([Si](C)(C)C)C1=C(N2C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O)O[Si](C)(C)C)N([Si](C)(C)C)C(=O)[NH]C1=O	standard non polar	2025-10-24	1174.26
Gas Chromatography	FMNH2_TMS_127	CC1=CC2=C(C=C1C)N([Si](C)(C)C)C1=C([NH]C(=O)N([Si](C)(C)C)C1=O)N2C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O)O[Si](C)(C)C	standard non polar	2025-10-24	712.562
Gas Chromatography	FMNH2_TMS_128	CC1=CC2=C(C=C1C)N(C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C1=C(N2)C(=O)[NH]C(=O)N1[Si](C)(C)C	standard non polar	2025-10-24	2914.02
Gas Chromatography	FMNH2_TMS_129	CC1=CC2=C(C=C1C)N(C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C1=C(N2)C(=O)N([Si](C)(C)C)C(=O)[NH]1	standard non polar	2025-10-24	949.486
Gas Chromatography	FMNH2_TMS_130	CC1=CC2=C(C=C1C)N([Si](C)(C)C)C1=C([NH]C(=O)[NH]C1=O)N2C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	1777.75
Gas Chromatography	FMNH2_TMS_131	CC1=CC2=C(C=C1C)N(C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O)O[Si](C)(C)C)C1=C(N2)C(=O)N([Si](C)(C)C)C(=O)N1[Si](C)(C)C	standard non polar	2025-10-24	4119.83
Gas Chromatography	FMNH2_TMS_132	CC1=CC2=C(C=C1C)N([Si](C)(C)C)C1=C(N2C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O)O[Si](C)(C)C)N([Si](C)(C)C)C(=O)[NH]C1=O	standard non polar	2025-10-24	1320.38
Gas Chromatography	FMNH2_TMS_133	CC1=CC2=C(C=C1C)N([Si](C)(C)C)C1=C([NH]C(=O)N([Si](C)(C)C)C1=O)N2C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O)O[Si](C)(C)C	standard non polar	2025-10-24	2094.54
Gas Chromatography	FMNH2_TMS_134	CC1=CC2=C(C=C1C)N([Si](C)(C)C)C1=C(N2C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O)O)N([Si](C)(C)C)C(=O)N([Si](C)(C)C)C1=O	standard non polar	2025-10-24	2272.35
Gas Chromatography	FMNH2_TMS_135	CC1=CC2=C(C=C1C)N(C[C@H](O[Si](C)(C)C)[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)C1=C(N2)C(=O)[NH]C(=O)N1[Si](C)(C)C	standard non polar	2025-10-24	545.709
Gas Chromatography	FMNH2_TMS_136	CC1=CC2=C(C=C1C)N(C[C@H](O[Si](C)(C)C)[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)C1=C(N2)C(=O)N([Si](C)(C)C)C(=O)[NH]1	standard non polar	2025-10-24	1962.81
Gas Chromatography	FMNH2_TMS_137	CC1=CC2=C(C=C1C)N([Si](C)(C)C)C1=C([NH]C(=O)[NH]C1=O)N2C[C@H](O[Si](C)(C)C)[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	3032.96
Gas Chromatography	FMNH2_TMS_138	CC1=CC2=C(C=C1C)N(C[C@H](O[Si](C)(C)C)[C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C)C1=C(N2)C(=O)N([Si](C)(C)C)C(=O)N1[Si](C)(C)C	standard non polar	2025-10-24	1594.57
Gas Chromatography	FMNH2_TMS_139	CC1=CC2=C(C=C1C)N([Si](C)(C)C)C1=C(N2C[C@H](O[Si](C)(C)C)[C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C)N([Si](C)(C)C)C(=O)[NH]C1=O	standard non polar	2025-10-24	1280.19
Gas Chromatography	FMNH2_TMS_140	CC1=CC2=C(C=C1C)N([Si](C)(C)C)C1=C([NH]C(=O)N([Si](C)(C)C)C1=O)N2C[C@H](O[Si](C)(C)C)[C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	2631.69
Gas Chromatography	FMNH2_TMS_141	CC1=CC2=C(C=C1C)N([Si](C)(C)C)C1=C(N2C[C@H](O[Si](C)(C)C)[C@H](O)[C@@H](COP(=O)(O)O)O[Si](C)(C)C)N([Si](C)(C)C)C(=O)N([Si](C)(C)C)C1=O	standard non polar	2025-10-24	2032.91
Gas Chromatography	FMNH2_TMS_142	CC1=CC2=C(C=C1C)N(C[C@H](O[Si](C)(C)C)[C@H](O)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C1=C(N2)C(=O)N([Si](C)(C)C)C(=O)N1[Si](C)(C)C	standard non polar	2025-10-24	2389.61
Gas Chromatography	FMNH2_TMS_143	CC1=CC2=C(C=C1C)N([Si](C)(C)C)C1=C(N2C[C@H](O[Si](C)(C)C)[C@H](O)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)N([Si](C)(C)C)C(=O)[NH]C1=O	standard non polar	2025-10-24	1798.83
Gas Chromatography	FMNH2_TMS_144	CC1=CC2=C(C=C1C)N([Si](C)(C)C)C1=C([NH]C(=O)N([Si](C)(C)C)C1=O)N2C[C@H](O[Si](C)(C)C)[C@H](O)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	1111.21
Gas Chromatography	FMNH2_TMS_145	CC1=CC2=C(C=C1C)N([Si](C)(C)C)C1=C(N2C[C@H](O[Si](C)(C)C)[C@H](O)[C@H](O)COP(=O)(O)O[Si](C)(C)C)N([Si](C)(C)C)C(=O)N([Si](C)(C)C)C1=O	standard non polar	2025-10-24	2655.73
Gas Chromatography	FMNH2_TMS_146	CC1=CC2=C(C=C1C)N(C[C@H](O)[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)C1=C(N2)C(=O)[NH]C(=O)N1[Si](C)(C)C	standard non polar	2025-10-24	2514.55
Gas Chromatography	FMNH2_TMS_147	CC1=CC2=C(C=C1C)N(C[C@H](O)[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)C1=C(N2)C(=O)N([Si](C)(C)C)C(=O)[NH]1	standard non polar	2025-10-24	2473.7
Gas Chromatography	FMNH2_TMS_148	CC1=CC2=C(C=C1C)N([Si](C)(C)C)C1=C([NH]C(=O)[NH]C1=O)N2C[C@H](O)[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	2198.8
Gas Chromatography	FMNH2_TMS_149	CC1=CC2=C(C=C1C)N(C[C@H](O)[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C)C1=C(N2)C(=O)N([Si](C)(C)C)C(=O)N1[Si](C)(C)C	standard non polar	2025-10-24	2363.29
Gas Chromatography	FMNH2_TMS_150	CC1=CC2=C(C=C1C)N([Si](C)(C)C)C1=C(N2C[C@H](O)[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C)N([Si](C)(C)C)C(=O)[NH]C1=O	standard non polar	2025-10-24	2452.87
Gas Chromatography	FMNH2_TMS_151	CC1=CC2=C(C=C1C)N([Si](C)(C)C)C1=C([NH]C(=O)N([Si](C)(C)C)C1=O)N2C[C@H](O)[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	3706.33
Gas Chromatography	FMNH2_TMS_152	CC1=CC2=C(C=C1C)N([Si](C)(C)C)C1=C(N2C[C@H](O)[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O)O[Si](C)(C)C)N([Si](C)(C)C)C(=O)N([Si](C)(C)C)C1=O	standard non polar	2025-10-24	1029.0
Gas Chromatography	FMNH2_TMS_153	CC1=CC2=C(C=C1C)N(C[C@H](O)[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C1=C(N2)C(=O)N([Si](C)(C)C)C(=O)N1[Si](C)(C)C	standard non polar	2025-10-24	1477.46
Gas Chromatography	FMNH2_TMS_154	CC1=CC2=C(C=C1C)N([Si](C)(C)C)C1=C(N2C[C@H](O)[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)N([Si](C)(C)C)C(=O)[NH]C1=O	standard non polar	2025-10-24	1313.91
Gas Chromatography	FMNH2_TMS_155	CC1=CC2=C(C=C1C)N([Si](C)(C)C)C1=C([NH]C(=O)N([Si](C)(C)C)C1=O)N2C[C@H](O)[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	2803.97
Gas Chromatography	FMNH2_TMS_156	CC1=CC2=C(C=C1C)N([Si](C)(C)C)C1=C(N2C[C@H](O)[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O)O[Si](C)(C)C)N([Si](C)(C)C)C(=O)N([Si](C)(C)C)C1=O	standard non polar	2025-10-24	673.674
Gas Chromatography	FMNH2_TMS_157	CC1=CC2=C(C=C1C)N(C[C@H](O)[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)C1=C(N2)C(=O)N([Si](C)(C)C)C(=O)N1[Si](C)(C)C	standard non polar	2025-10-24	213.751
Gas Chromatography	FMNH2_TMS_158	CC1=CC2=C(C=C1C)N([Si](C)(C)C)C1=C(N2C[C@H](O)[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)N([Si](C)(C)C)C(=O)[NH]C1=O	standard non polar	2025-10-24	1850.07
Gas Chromatography	FMNH2_TMS_159	CC1=CC2=C(C=C1C)N([Si](C)(C)C)C1=C([NH]C(=O)N([Si](C)(C)C)C1=O)N2C[C@H](O)[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	2461.41
Gas Chromatography	FMNH2_TMS_160	CC1=CC2=C(C=C1C)N([Si](C)(C)C)C1=C(N2C[C@H](O)[C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C)N([Si](C)(C)C)C(=O)N([Si](C)(C)C)C1=O	standard non polar	2025-10-24	2410.32
Gas Chromatography	FMNH2_TMS_161	CC1=CC2=C(C=C1C)N([Si](C)(C)C)C1=C(N2C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)N([Si](C)(C)C)C(=O)N([Si](C)(C)C)C1=O	standard non polar	2025-10-24	2326.83
Gas Chromatography	FMNH2_TMS_162	CC1=CC2=C(C=C1C)N(C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)C1=C(N2)C(=O)[NH]C(=O)N1[Si](C)(C)C	standard non polar	2025-10-24	1824.73
Gas Chromatography	FMNH2_TMS_163	CC1=CC2=C(C=C1C)N(C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)C1=C(N2)C(=O)N([Si](C)(C)C)C(=O)[NH]1	standard non polar	2025-10-24	3165.64
Gas Chromatography	FMNH2_TMS_164	CC1=CC2=C(C=C1C)N([Si](C)(C)C)C1=C([NH]C(=O)[NH]C1=O)N2C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	2012.24
Gas Chromatography	FMNH2_TMS_165	CC1=CC2=C(C=C1C)N(C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C)C1=C(N2)C(=O)N([Si](C)(C)C)C(=O)N1[Si](C)(C)C	standard non polar	2025-10-24	2059.71
Gas Chromatography	FMNH2_TMS_166	CC1=CC2=C(C=C1C)N([Si](C)(C)C)C1=C(N2C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C)N([Si](C)(C)C)C(=O)[NH]C1=O	standard non polar	2025-10-24	3190.76
Gas Chromatography	FMNH2_TMS_167	CC1=CC2=C(C=C1C)N([Si](C)(C)C)C1=C([NH]C(=O)N([Si](C)(C)C)C1=O)N2C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	1112.81
Gas Chromatography	FMNH2_TMS_168	CC1=CC2=C(C=C1C)N([Si](C)(C)C)C1=C(N2C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O)O[Si](C)(C)C)N([Si](C)(C)C)C(=O)N([Si](C)(C)C)C1=O	standard non polar	2025-10-24	2268.62
Gas Chromatography	FMNH2_TMS_169	CC1=CC2=C(C=C1C)N(C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C1=C(N2)C(=O)N([Si](C)(C)C)C(=O)N1[Si](C)(C)C	standard non polar	2025-10-24	1373.71
Gas Chromatography	FMNH2_TMS_170	CC1=CC2=C(C=C1C)N([Si](C)(C)C)C1=C(N2C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)N([Si](C)(C)C)C(=O)[NH]C1=O	standard non polar	2025-10-24	1763.68
Gas Chromatography	FMNH2_TMS_171	CC1=CC2=C(C=C1C)N([Si](C)(C)C)C1=C([NH]C(=O)N([Si](C)(C)C)C1=O)N2C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	1021.74
Gas Chromatography	FMNH2_TMS_172	CC1=CC2=C(C=C1C)N([Si](C)(C)C)C1=C(N2C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O)O[Si](C)(C)C)N([Si](C)(C)C)C(=O)N([Si](C)(C)C)C1=O	standard non polar	2025-10-24	2920.64
Gas Chromatography	FMNH2_TMS_173	CC1=CC2=C(C=C1C)N(C[C@H](O[Si](C)(C)C)[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)C1=C(N2)C(=O)N([Si](C)(C)C)C(=O)N1[Si](C)(C)C	standard non polar	2025-10-24	2292.08
Gas Chromatography	FMNH2_TMS_174	CC1=CC2=C(C=C1C)N([Si](C)(C)C)C1=C(N2C[C@H](O[Si](C)(C)C)[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)N([Si](C)(C)C)C(=O)[NH]C1=O	standard non polar	2025-10-24	2348.9
Gas Chromatography	FMNH2_TMS_175	CC1=CC2=C(C=C1C)N([Si](C)(C)C)C1=C([NH]C(=O)N([Si](C)(C)C)C1=O)N2C[C@H](O[Si](C)(C)C)[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	2031.07
Gas Chromatography	FMNH2_TMS_176	CC1=CC2=C(C=C1C)N([Si](C)(C)C)C1=C(N2C[C@H](O[Si](C)(C)C)[C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C)N([Si](C)(C)C)C(=O)N([Si](C)(C)C)C1=O	standard non polar	2025-10-24	985.846
Gas Chromatography	FMNH2_TMS_177	CC1=CC2=C(C=C1C)N([Si](C)(C)C)C1=C(N2C[C@H](O[Si](C)(C)C)[C@H](O)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)N([Si](C)(C)C)C(=O)N([Si](C)(C)C)C1=O	standard non polar	2025-10-24	1452.07
Gas Chromatography	FMNH2_TMS_178	CC1=CC2=C(C=C1C)N(C[C@H](O)[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)C1=C(N2)C(=O)N([Si](C)(C)C)C(=O)N1[Si](C)(C)C	standard non polar	2025-10-24	3211.77
Gas Chromatography	FMNH2_TMS_179	CC1=CC2=C(C=C1C)N([Si](C)(C)C)C1=C(N2C[C@H](O)[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)N([Si](C)(C)C)C(=O)[NH]C1=O	standard non polar	2025-10-24	1220.65
Gas Chromatography	FMNH2_TMS_180	CC1=CC2=C(C=C1C)N([Si](C)(C)C)C1=C([NH]C(=O)N([Si](C)(C)C)C1=O)N2C[C@H](O)[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	2371.31
Gas Chromatography	FMNH2_TMS_181	CC1=CC2=C(C=C1C)N([Si](C)(C)C)C1=C(N2C[C@H](O)[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C)N([Si](C)(C)C)C(=O)N([Si](C)(C)C)C1=O	standard non polar	2025-10-24	213.978
Gas Chromatography	FMNH2_TMS_182	CC1=CC2=C(C=C1C)N([Si](C)(C)C)C1=C(N2C[C@H](O)[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)N([Si](C)(C)C)C(=O)N([Si](C)(C)C)C1=O	standard non polar	2025-10-24	3833.51
Gas Chromatography	FMNH2_TMS_183	CC1=CC2=C(C=C1C)N([Si](C)(C)C)C1=C(N2C[C@H](O)[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)N([Si](C)(C)C)C(=O)N([Si](C)(C)C)C1=O	standard non polar	2025-10-24	1165.86
Gas Chromatography	FMNH2_TMS_1	CC1=CC2=C(C=C1C)N(C[C@H](O[Si](C)(C)C)[C@H](O)[C@H](O)COP(=O)(O)O)C1=C(N2)C(=O)[NH]C(=O)[NH]1	standard polar	2025-10-24	2399.81
Gas Chromatography	FMNH2_TMS_2	CC1=CC2=C(C=C1C)N(C[C@H](O)[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O)O)C1=C(N2)C(=O)[NH]C(=O)[NH]1	standard polar	2025-10-24	1953.28
Gas Chromatography	FMNH2_TMS_3	CC1=CC2=C(C=C1C)N(C[C@H](O)[C@H](O)[C@@H](COP(=O)(O)O)O[Si](C)(C)C)C1=C(N2)C(=O)[NH]C(=O)[NH]1	standard polar	2025-10-24	2568.16
Gas Chromatography	FMNH2_TMS_4	CC1=CC2=C(C=C1C)N(C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)O[Si](C)(C)C)C1=C(N2)C(=O)[NH]C(=O)[NH]1	standard polar	2025-10-24	2334.53
Gas Chromatography	FMNH2_TMS_5	CC1=CC2=C(C=C1C)N([Si](C)(C)C)C1=C([NH]C(=O)[NH]C1=O)N2C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)O	standard polar	2025-10-24	2257.98
Gas Chromatography	FMNH2_TMS_6	CC1=CC2=C(C=C1C)N(C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)O)C1=C(N2)C(=O)N([Si](C)(C)C)C(=O)[NH]1	standard polar	2025-10-24	2111.66
Gas Chromatography	FMNH2_TMS_7	CC1=CC2=C(C=C1C)N(C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)O)C1=C(N2)C(=O)[NH]C(=O)N1[Si](C)(C)C	standard polar	2025-10-24	1985.56
Gas Chromatography	FMNH2_TMS_8	CC1=CC2=C(C=C1C)N(C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O)O)C1=C(N2)C(=O)[NH]C(=O)[NH]1	standard polar	2025-10-24	1533.06
Gas Chromatography	FMNH2_TMS_9	CC1=CC2=C(C=C1C)N(C[C@H](O[Si](C)(C)C)[C@H](O)[C@@H](COP(=O)(O)O)O[Si](C)(C)C)C1=C(N2)C(=O)[NH]C(=O)[NH]1	standard polar	2025-10-24	1967.44
Gas Chromatography	FMNH2_TMS_10	CC1=CC2=C(C=C1C)N(C[C@H](O[Si](C)(C)C)[C@H](O)[C@H](O)COP(=O)(O)O[Si](C)(C)C)C1=C(N2)C(=O)[NH]C(=O)[NH]1	standard polar	2025-10-24	2935.88
Gas Chromatography	FMNH2_TMS_11	CC1=CC2=C(C=C1C)N(C[C@H](O[Si](C)(C)C)[C@H](O)[C@H](O)COP(=O)(O)O)C1=C(N2)C(=O)[NH]C(=O)N1[Si](C)(C)C	standard polar	2025-10-24	2381.04
Gas Chromatography	FMNH2_TMS_12	CC1=CC2=C(C=C1C)N(C[C@H](O[Si](C)(C)C)[C@H](O)[C@H](O)COP(=O)(O)O)C1=C(N2)C(=O)N([Si](C)(C)C)C(=O)[NH]1	standard polar	2025-10-24	1105.95
Gas Chromatography	FMNH2_TMS_13	CC1=CC2=C(C=C1C)N([Si](C)(C)C)C1=C([NH]C(=O)[NH]C1=O)N2C[C@H](O[Si](C)(C)C)[C@H](O)[C@H](O)COP(=O)(O)O	standard polar	2025-10-24	255.121
Gas Chromatography	FMNH2_TMS_14	CC1=CC2=C(C=C1C)N(C[C@H](O)[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O)O[Si](C)(C)C)C1=C(N2)C(=O)[NH]C(=O)[NH]1	standard polar	2025-10-24	2279.79
Gas Chromatography	FMNH2_TMS_15	CC1=CC2=C(C=C1C)N(C[C@H](O)[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O)O[Si](C)(C)C)C1=C(N2)C(=O)[NH]C(=O)[NH]1	standard polar	2025-10-24	1797.34
Gas Chromatography	FMNH2_TMS_16	CC1=CC2=C(C=C1C)N(C[C@H](O)[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O)O)C1=C(N2)C(=O)[NH]C(=O)N1[Si](C)(C)C	standard polar	2025-10-24	1056.45
Gas Chromatography	FMNH2_TMS_17	CC1=CC2=C(C=C1C)N(C[C@H](O)[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O)O)C1=C(N2)C(=O)N([Si](C)(C)C)C(=O)[NH]1	standard polar	2025-10-24	2092.56
Gas Chromatography	FMNH2_TMS_18	CC1=CC2=C(C=C1C)N([Si](C)(C)C)C1=C([NH]C(=O)[NH]C1=O)N2C[C@H](O)[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O)O	standard polar	2025-10-24	1823.99
Gas Chromatography	FMNH2_TMS_19	CC1=CC2=C(C=C1C)N(C[C@H](O)[C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C)C1=C(N2)C(=O)[NH]C(=O)[NH]1	standard polar	2025-10-24	2303.04
Gas Chromatography	FMNH2_TMS_20	CC1=CC2=C(C=C1C)N(C[C@H](O)[C@H](O)[C@@H](COP(=O)(O)O)O[Si](C)(C)C)C1=C(N2)C(=O)[NH]C(=O)N1[Si](C)(C)C	standard polar	2025-10-24	2478.42
Gas Chromatography	FMNH2_TMS_21	CC1=CC2=C(C=C1C)N(C[C@H](O)[C@H](O)[C@@H](COP(=O)(O)O)O[Si](C)(C)C)C1=C(N2)C(=O)N([Si](C)(C)C)C(=O)[NH]1	standard polar	2025-10-24	2810.11
Gas Chromatography	FMNH2_TMS_22	CC1=CC2=C(C=C1C)N([Si](C)(C)C)C1=C([NH]C(=O)[NH]C1=O)N2C[C@H](O)[C@H](O)[C@@H](COP(=O)(O)O)O[Si](C)(C)C	standard polar	2025-10-24	1668.77
Gas Chromatography	FMNH2_TMS_23	CC1=CC2=C(C=C1C)N(C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C1=C(N2)C(=O)[NH]C(=O)[NH]1	standard polar	2025-10-24	2260.57
Gas Chromatography	FMNH2_TMS_24	CC1=CC2=C(C=C1C)N(C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)O[Si](C)(C)C)C1=C(N2)C(=O)[NH]C(=O)N1[Si](C)(C)C	standard polar	2025-10-24	2275.56
Gas Chromatography	FMNH2_TMS_25	CC1=CC2=C(C=C1C)N(C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)O[Si](C)(C)C)C1=C(N2)C(=O)N([Si](C)(C)C)C(=O)[NH]1	standard polar	2025-10-24	2129.21
Gas Chromatography	FMNH2_TMS_26	CC1=CC2=C(C=C1C)N([Si](C)(C)C)C1=C([NH]C(=O)[NH]C1=O)N2C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)O[Si](C)(C)C	standard polar	2025-10-24	2196.24
Gas Chromatography	FMNH2_TMS_27	CC1=CC2=C(C=C1C)N([Si](C)(C)C)C1=C(N2C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)O)N([Si](C)(C)C)C(=O)[NH]C1=O	standard polar	2025-10-24	2238.95
Gas Chromatography	FMNH2_TMS_28	CC1=CC2=C(C=C1C)N([Si](C)(C)C)C1=C([NH]C(=O)N([Si](C)(C)C)C1=O)N2C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)O	standard polar	2025-10-24	1292.41
Gas Chromatography	FMNH2_TMS_29	CC1=CC2=C(C=C1C)N(C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)O)C1=C(N2)C(=O)N([Si](C)(C)C)C(=O)N1[Si](C)(C)C	standard polar	2025-10-24	1634.95
Gas Chromatography	FMNH2_TMS_30	CC1=CC2=C(C=C1C)N(C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O)O[Si](C)(C)C)C1=C(N2)C(=O)[NH]C(=O)[NH]1	standard polar	2025-10-24	2251.86
Gas Chromatography	FMNH2_TMS_31	CC1=CC2=C(C=C1C)N(C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O)O[Si](C)(C)C)C1=C(N2)C(=O)[NH]C(=O)[NH]1	standard polar	2025-10-24	2306.18
Gas Chromatography	FMNH2_TMS_32	CC1=CC2=C(C=C1C)N(C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O)O)C1=C(N2)C(=O)[NH]C(=O)N1[Si](C)(C)C	standard polar	2025-10-24	1843.25
Gas Chromatography	FMNH2_TMS_33	CC1=CC2=C(C=C1C)N(C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O)O)C1=C(N2)C(=O)N([Si](C)(C)C)C(=O)[NH]1	standard polar	2025-10-24	2716.39
Gas Chromatography	FMNH2_TMS_34	CC1=CC2=C(C=C1C)N([Si](C)(C)C)C1=C([NH]C(=O)[NH]C1=O)N2C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O)O	standard polar	2025-10-24	2461.98
Gas Chromatography	FMNH2_TMS_35	CC1=CC2=C(C=C1C)N(C[C@H](O[Si](C)(C)C)[C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C)C1=C(N2)C(=O)[NH]C(=O)[NH]1	standard polar	2025-10-24	2128.67
Gas Chromatography	FMNH2_TMS_36	CC1=CC2=C(C=C1C)N(C[C@H](O[Si](C)(C)C)[C@H](O)[C@@H](COP(=O)(O)O)O[Si](C)(C)C)C1=C(N2)C(=O)[NH]C(=O)N1[Si](C)(C)C	standard polar	2025-10-24	3041.65
Gas Chromatography	FMNH2_TMS_37	CC1=CC2=C(C=C1C)N(C[C@H](O[Si](C)(C)C)[C@H](O)[C@@H](COP(=O)(O)O)O[Si](C)(C)C)C1=C(N2)C(=O)N([Si](C)(C)C)C(=O)[NH]1	standard polar	2025-10-24	2146.55
Gas Chromatography	FMNH2_TMS_38	CC1=CC2=C(C=C1C)N([Si](C)(C)C)C1=C([NH]C(=O)[NH]C1=O)N2C[C@H](O[Si](C)(C)C)[C@H](O)[C@@H](COP(=O)(O)O)O[Si](C)(C)C	standard polar	2025-10-24	1675.36
Gas Chromatography	FMNH2_TMS_39	CC1=CC2=C(C=C1C)N(C[C@H](O[Si](C)(C)C)[C@H](O)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C1=C(N2)C(=O)[NH]C(=O)[NH]1	standard polar	2025-10-24	1917.53
Gas Chromatography	FMNH2_TMS_40	CC1=CC2=C(C=C1C)N(C[C@H](O[Si](C)(C)C)[C@H](O)[C@H](O)COP(=O)(O)O[Si](C)(C)C)C1=C(N2)C(=O)[NH]C(=O)N1[Si](C)(C)C	standard polar	2025-10-24	2473.23
Gas Chromatography	FMNH2_TMS_41	CC1=CC2=C(C=C1C)N(C[C@H](O[Si](C)(C)C)[C@H](O)[C@H](O)COP(=O)(O)O[Si](C)(C)C)C1=C(N2)C(=O)N([Si](C)(C)C)C(=O)[NH]1	standard polar	2025-10-24	1753.61
Gas Chromatography	FMNH2_TMS_42	CC1=CC2=C(C=C1C)N([Si](C)(C)C)C1=C([NH]C(=O)[NH]C1=O)N2C[C@H](O[Si](C)(C)C)[C@H](O)[C@H](O)COP(=O)(O)O[Si](C)(C)C	standard polar	2025-10-24	2419.91
Gas Chromatography	FMNH2_TMS_43	CC1=CC2=C(C=C1C)N(C[C@H](O[Si](C)(C)C)[C@H](O)[C@H](O)COP(=O)(O)O)C1=C(N2)C(=O)N([Si](C)(C)C)C(=O)N1[Si](C)(C)C	standard polar	2025-10-24	3495.26
Gas Chromatography	FMNH2_TMS_44	CC1=CC2=C(C=C1C)N([Si](C)(C)C)C1=C(N2C[C@H](O[Si](C)(C)C)[C@H](O)[C@H](O)COP(=O)(O)O)N([Si](C)(C)C)C(=O)[NH]C1=O	standard polar	2025-10-24	2967.14
Gas Chromatography	FMNH2_TMS_45	CC1=CC2=C(C=C1C)N([Si](C)(C)C)C1=C([NH]C(=O)N([Si](C)(C)C)C1=O)N2C[C@H](O[Si](C)(C)C)[C@H](O)[C@H](O)COP(=O)(O)O	standard polar	2025-10-24	2874.58
Gas Chromatography	FMNH2_TMS_46	CC1=CC2=C(C=C1C)N(C[C@H](O)[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C)C1=C(N2)C(=O)[NH]C(=O)[NH]1	standard polar	2025-10-24	2060.7
Gas Chromatography	FMNH2_TMS_47	CC1=CC2=C(C=C1C)N(C[C@H](O)[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O)O[Si](C)(C)C)C1=C(N2)C(=O)[NH]C(=O)N1[Si](C)(C)C	standard polar	2025-10-24	1975.61
Gas Chromatography	FMNH2_TMS_48	CC1=CC2=C(C=C1C)N(C[C@H](O)[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O)O[Si](C)(C)C)C1=C(N2)C(=O)N([Si](C)(C)C)C(=O)[NH]1	standard polar	2025-10-24	1495.57
Gas Chromatography	FMNH2_TMS_49	CC1=CC2=C(C=C1C)N([Si](C)(C)C)C1=C([NH]C(=O)[NH]C1=O)N2C[C@H](O)[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O)O[Si](C)(C)C	standard polar	2025-10-24	323.715
Gas Chromatography	FMNH2_TMS_50	CC1=CC2=C(C=C1C)N(C[C@H](O)[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C1=C(N2)C(=O)[NH]C(=O)[NH]1	standard polar	2025-10-24	2516.21
Gas Chromatography	FMNH2_TMS_51	CC1=CC2=C(C=C1C)N(C[C@H](O)[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O)O[Si](C)(C)C)C1=C(N2)C(=O)[NH]C(=O)N1[Si](C)(C)C	standard polar	2025-10-24	-6.14582
Gas Chromatography	FMNH2_TMS_52	CC1=CC2=C(C=C1C)N(C[C@H](O)[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O)O[Si](C)(C)C)C1=C(N2)C(=O)N([Si](C)(C)C)C(=O)[NH]1	standard polar	2025-10-24	1845.27
Gas Chromatography	FMNH2_TMS_53	CC1=CC2=C(C=C1C)N([Si](C)(C)C)C1=C([NH]C(=O)[NH]C1=O)N2C[C@H](O)[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O)O[Si](C)(C)C	standard polar	2025-10-24	2233.74
Gas Chromatography	FMNH2_TMS_54	CC1=CC2=C(C=C1C)N(C[C@H](O)[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O)O)C1=C(N2)C(=O)N([Si](C)(C)C)C(=O)N1[Si](C)(C)C	standard polar	2025-10-24	757.628
Gas Chromatography	FMNH2_TMS_55	CC1=CC2=C(C=C1C)N([Si](C)(C)C)C1=C(N2C[C@H](O)[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O)O)N([Si](C)(C)C)C(=O)[NH]C1=O	standard polar	2025-10-24	763.781
Gas Chromatography	FMNH2_TMS_56	CC1=CC2=C(C=C1C)N([Si](C)(C)C)C1=C([NH]C(=O)N([Si](C)(C)C)C1=O)N2C[C@H](O)[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O)O	standard polar	2025-10-24	2040.76
Gas Chromatography	FMNH2_TMS_57	CC1=CC2=C(C=C1C)N(C[C@H](O)[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)C1=C(N2)C(=O)[NH]C(=O)[NH]1	standard polar	2025-10-24	2180.68
Gas Chromatography	FMNH2_TMS_58	CC1=CC2=C(C=C1C)N(C[C@H](O)[C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C)C1=C(N2)C(=O)[NH]C(=O)N1[Si](C)(C)C	standard polar	2025-10-24	2213.24
Gas Chromatography	FMNH2_TMS_59	CC1=CC2=C(C=C1C)N(C[C@H](O)[C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C)C1=C(N2)C(=O)N([Si](C)(C)C)C(=O)[NH]1	standard polar	2025-10-24	2791.23
Gas Chromatography	FMNH2_TMS_60	CC1=CC2=C(C=C1C)N([Si](C)(C)C)C1=C([NH]C(=O)[NH]C1=O)N2C[C@H](O)[C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	1544.33
Gas Chromatography	FMNH2_TMS_61	CC1=CC2=C(C=C1C)N(C[C@H](O)[C@H](O)[C@@H](COP(=O)(O)O)O[Si](C)(C)C)C1=C(N2)C(=O)N([Si](C)(C)C)C(=O)N1[Si](C)(C)C	standard polar	2025-10-24	2392.81
Gas Chromatography	FMNH2_TMS_62	CC1=CC2=C(C=C1C)N([Si](C)(C)C)C1=C(N2C[C@H](O)[C@H](O)[C@@H](COP(=O)(O)O)O[Si](C)(C)C)N([Si](C)(C)C)C(=O)[NH]C1=O	standard polar	2025-10-24	2984.74
Gas Chromatography	FMNH2_TMS_63	CC1=CC2=C(C=C1C)N([Si](C)(C)C)C1=C([NH]C(=O)N([Si](C)(C)C)C1=O)N2C[C@H](O)[C@H](O)[C@@H](COP(=O)(O)O)O[Si](C)(C)C	standard polar	2025-10-24	3799.7
Gas Chromatography	FMNH2_TMS_64	CC1=CC2=C(C=C1C)N(C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C1=C(N2)C(=O)[NH]C(=O)N1[Si](C)(C)C	standard polar	2025-10-24	166.378
Gas Chromatography	FMNH2_TMS_65	CC1=CC2=C(C=C1C)N(C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C1=C(N2)C(=O)N([Si](C)(C)C)C(=O)[NH]1	standard polar	2025-10-24	2885.67
Gas Chromatography	FMNH2_TMS_66	CC1=CC2=C(C=C1C)N([Si](C)(C)C)C1=C([NH]C(=O)[NH]C1=O)N2C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	1982.71
Gas Chromatography	FMNH2_TMS_67	CC1=CC2=C(C=C1C)N(C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)O[Si](C)(C)C)C1=C(N2)C(=O)N([Si](C)(C)C)C(=O)N1[Si](C)(C)C	standard polar	2025-10-24	2085.2
Gas Chromatography	FMNH2_TMS_68	CC1=CC2=C(C=C1C)N([Si](C)(C)C)C1=C(N2C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)O[Si](C)(C)C)N([Si](C)(C)C)C(=O)[NH]C1=O	standard polar	2025-10-24	1874.36
Gas Chromatography	FMNH2_TMS_69	CC1=CC2=C(C=C1C)N([Si](C)(C)C)C1=C([NH]C(=O)N([Si](C)(C)C)C1=O)N2C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)O[Si](C)(C)C	standard polar	2025-10-24	3354.01
Gas Chromatography	FMNH2_TMS_70	CC1=CC2=C(C=C1C)N([Si](C)(C)C)C1=C(N2C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)O)N([Si](C)(C)C)C(=O)N([Si](C)(C)C)C1=O	standard polar	2025-10-24	1611.76
Gas Chromatography	FMNH2_TMS_71	CC1=CC2=C(C=C1C)N(C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C)C1=C(N2)C(=O)[NH]C(=O)[NH]1	standard polar	2025-10-24	3163.35
Gas Chromatography	FMNH2_TMS_72	CC1=CC2=C(C=C1C)N(C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O)O[Si](C)(C)C)C1=C(N2)C(=O)[NH]C(=O)N1[Si](C)(C)C	standard polar	2025-10-24	1868.68
Gas Chromatography	FMNH2_TMS_73	CC1=CC2=C(C=C1C)N(C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O)O[Si](C)(C)C)C1=C(N2)C(=O)N([Si](C)(C)C)C(=O)[NH]1	standard polar	2025-10-24	2491.46
Gas Chromatography	FMNH2_TMS_74	CC1=CC2=C(C=C1C)N([Si](C)(C)C)C1=C([NH]C(=O)[NH]C1=O)N2C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O)O[Si](C)(C)C	standard polar	2025-10-24	1411.74
Gas Chromatography	FMNH2_TMS_75	CC1=CC2=C(C=C1C)N(C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C1=C(N2)C(=O)[NH]C(=O)[NH]1	standard polar	2025-10-24	1873.43
Gas Chromatography	FMNH2_TMS_76	CC1=CC2=C(C=C1C)N(C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O)O[Si](C)(C)C)C1=C(N2)C(=O)[NH]C(=O)N1[Si](C)(C)C	standard polar	2025-10-24	1686.89
Gas Chromatography	FMNH2_TMS_77	CC1=CC2=C(C=C1C)N(C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O)O[Si](C)(C)C)C1=C(N2)C(=O)N([Si](C)(C)C)C(=O)[NH]1	standard polar	2025-10-24	2051.74
Gas Chromatography	FMNH2_TMS_78	CC1=CC2=C(C=C1C)N([Si](C)(C)C)C1=C([NH]C(=O)[NH]C1=O)N2C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O)O[Si](C)(C)C	standard polar	2025-10-24	2504.9
Gas Chromatography	FMNH2_TMS_79	CC1=CC2=C(C=C1C)N(C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O)O)C1=C(N2)C(=O)N([Si](C)(C)C)C(=O)N1[Si](C)(C)C	standard polar	2025-10-24	2568.07
Gas Chromatography	FMNH2_TMS_80	CC1=CC2=C(C=C1C)N([Si](C)(C)C)C1=C(N2C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O)O)N([Si](C)(C)C)C(=O)[NH]C1=O	standard polar	2025-10-24	2695.16
Gas Chromatography	FMNH2_TMS_81	CC1=CC2=C(C=C1C)N([Si](C)(C)C)C1=C([NH]C(=O)N([Si](C)(C)C)C1=O)N2C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O)O	standard polar	2025-10-24	749.59
Gas Chromatography	FMNH2_TMS_82	CC1=CC2=C(C=C1C)N(C[C@H](O[Si](C)(C)C)[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)C1=C(N2)C(=O)[NH]C(=O)[NH]1	standard polar	2025-10-24	2345.34
Gas Chromatography	FMNH2_TMS_83	CC1=CC2=C(C=C1C)N(C[C@H](O[Si](C)(C)C)[C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C)C1=C(N2)C(=O)[NH]C(=O)N1[Si](C)(C)C	standard polar	2025-10-24	617.87
Gas Chromatography	FMNH2_TMS_84	CC1=CC2=C(C=C1C)N(C[C@H](O[Si](C)(C)C)[C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C)C1=C(N2)C(=O)N([Si](C)(C)C)C(=O)[NH]1	standard polar	2025-10-24	2405.9
Gas Chromatography	FMNH2_TMS_85	CC1=CC2=C(C=C1C)N([Si](C)(C)C)C1=C([NH]C(=O)[NH]C1=O)N2C[C@H](O[Si](C)(C)C)[C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	2393.23
Gas Chromatography	FMNH2_TMS_86	CC1=CC2=C(C=C1C)N(C[C@H](O[Si](C)(C)C)[C@H](O)[C@@H](COP(=O)(O)O)O[Si](C)(C)C)C1=C(N2)C(=O)N([Si](C)(C)C)C(=O)N1[Si](C)(C)C	standard polar	2025-10-24	1461.05
Gas Chromatography	FMNH2_TMS_87	CC1=CC2=C(C=C1C)N([Si](C)(C)C)C1=C(N2C[C@H](O[Si](C)(C)C)[C@H](O)[C@@H](COP(=O)(O)O)O[Si](C)(C)C)N([Si](C)(C)C)C(=O)[NH]C1=O	standard polar	2025-10-24	3008.8
Gas Chromatography	FMNH2_TMS_88	CC1=CC2=C(C=C1C)N([Si](C)(C)C)C1=C([NH]C(=O)N([Si](C)(C)C)C1=O)N2C[C@H](O[Si](C)(C)C)[C@H](O)[C@@H](COP(=O)(O)O)O[Si](C)(C)C	standard polar	2025-10-24	2746.99
Gas Chromatography	FMNH2_TMS_89	CC1=CC2=C(C=C1C)N(C[C@H](O[Si](C)(C)C)[C@H](O)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C1=C(N2)C(=O)[NH]C(=O)N1[Si](C)(C)C	standard polar	2025-10-24	2097.64
Gas Chromatography	FMNH2_TMS_90	CC1=CC2=C(C=C1C)N(C[C@H](O[Si](C)(C)C)[C@H](O)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C1=C(N2)C(=O)N([Si](C)(C)C)C(=O)[NH]1	standard polar	2025-10-24	676.274
Gas Chromatography	FMNH2_TMS_91	CC1=CC2=C(C=C1C)N([Si](C)(C)C)C1=C([NH]C(=O)[NH]C1=O)N2C[C@H](O[Si](C)(C)C)[C@H](O)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	2351.11
Gas Chromatography	FMNH2_TMS_92	CC1=CC2=C(C=C1C)N(C[C@H](O[Si](C)(C)C)[C@H](O)[C@H](O)COP(=O)(O)O[Si](C)(C)C)C1=C(N2)C(=O)N([Si](C)(C)C)C(=O)N1[Si](C)(C)C	standard polar	2025-10-24	1811.54
Gas Chromatography	FMNH2_TMS_93	CC1=CC2=C(C=C1C)N([Si](C)(C)C)C1=C(N2C[C@H](O[Si](C)(C)C)[C@H](O)[C@H](O)COP(=O)(O)O[Si](C)(C)C)N([Si](C)(C)C)C(=O)[NH]C1=O	standard polar	2025-10-24	2960.88
Gas Chromatography	FMNH2_TMS_94	CC1=CC2=C(C=C1C)N([Si](C)(C)C)C1=C([NH]C(=O)N([Si](C)(C)C)C1=O)N2C[C@H](O[Si](C)(C)C)[C@H](O)[C@H](O)COP(=O)(O)O[Si](C)(C)C	standard polar	2025-10-24	2037.79
Gas Chromatography	FMNH2_TMS_95	CC1=CC2=C(C=C1C)N([Si](C)(C)C)C1=C(N2C[C@H](O[Si](C)(C)C)[C@H](O)[C@H](O)COP(=O)(O)O)N([Si](C)(C)C)C(=O)N([Si](C)(C)C)C1=O	standard polar	2025-10-24	2541.05
Gas Chromatography	FMNH2_TMS_96	CC1=CC2=C(C=C1C)N(C[C@H](O)[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)C1=C(N2)C(=O)[NH]C(=O)[NH]1	standard polar	2025-10-24	2192.09
Gas Chromatography	FMNH2_TMS_97	CC1=CC2=C(C=C1C)N(C[C@H](O)[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C)C1=C(N2)C(=O)[NH]C(=O)N1[Si](C)(C)C	standard polar	2025-10-24	1572.76
Gas Chromatography	FMNH2_TMS_98	CC1=CC2=C(C=C1C)N(C[C@H](O)[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C)C1=C(N2)C(=O)N([Si](C)(C)C)C(=O)[NH]1	standard polar	2025-10-24	1960.25
Gas Chromatography	FMNH2_TMS_99	CC1=CC2=C(C=C1C)N([Si](C)(C)C)C1=C([NH]C(=O)[NH]C1=O)N2C[C@H](O)[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	2666.09
Gas Chromatography	FMNH2_TMS_100	CC1=CC2=C(C=C1C)N(C[C@H](O)[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O)O[Si](C)(C)C)C1=C(N2)C(=O)N([Si](C)(C)C)C(=O)N1[Si](C)(C)C	standard polar	2025-10-24	2630.5
Gas Chromatography	FMNH2_TMS_101	CC1=CC2=C(C=C1C)N([Si](C)(C)C)C1=C(N2C[C@H](O)[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O)O[Si](C)(C)C)N([Si](C)(C)C)C(=O)[NH]C1=O	standard polar	2025-10-24	650.143
Gas Chromatography	FMNH2_TMS_102	CC1=CC2=C(C=C1C)N([Si](C)(C)C)C1=C([NH]C(=O)N([Si](C)(C)C)C1=O)N2C[C@H](O)[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O)O[Si](C)(C)C	standard polar	2025-10-24	1759.95
Gas Chromatography	FMNH2_TMS_103	CC1=CC2=C(C=C1C)N(C[C@H](O)[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C1=C(N2)C(=O)[NH]C(=O)N1[Si](C)(C)C	standard polar	2025-10-24	1729.49
Gas Chromatography	FMNH2_TMS_104	CC1=CC2=C(C=C1C)N(C[C@H](O)[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C1=C(N2)C(=O)N([Si](C)(C)C)C(=O)[NH]1	standard polar	2025-10-24	1476.17
Gas Chromatography	FMNH2_TMS_105	CC1=CC2=C(C=C1C)N([Si](C)(C)C)C1=C([NH]C(=O)[NH]C1=O)N2C[C@H](O)[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	796.426
Gas Chromatography	FMNH2_TMS_106	CC1=CC2=C(C=C1C)N(C[C@H](O)[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O)O[Si](C)(C)C)C1=C(N2)C(=O)N([Si](C)(C)C)C(=O)N1[Si](C)(C)C	standard polar	2025-10-24	2075.97
Gas Chromatography	FMNH2_TMS_107	CC1=CC2=C(C=C1C)N([Si](C)(C)C)C1=C(N2C[C@H](O)[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O)O[Si](C)(C)C)N([Si](C)(C)C)C(=O)[NH]C1=O	standard polar	2025-10-24	2715.65
Gas Chromatography	FMNH2_TMS_108	CC1=CC2=C(C=C1C)N([Si](C)(C)C)C1=C([NH]C(=O)N([Si](C)(C)C)C1=O)N2C[C@H](O)[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O)O[Si](C)(C)C	standard polar	2025-10-24	2623.08
Gas Chromatography	FMNH2_TMS_109	CC1=CC2=C(C=C1C)N([Si](C)(C)C)C1=C(N2C[C@H](O)[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O)O)N([Si](C)(C)C)C(=O)N([Si](C)(C)C)C1=O	standard polar	2025-10-24	2959.17
Gas Chromatography	FMNH2_TMS_110	CC1=CC2=C(C=C1C)N(C[C@H](O)[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)C1=C(N2)C(=O)[NH]C(=O)N1[Si](C)(C)C	standard polar	2025-10-24	2310.85
Gas Chromatography	FMNH2_TMS_111	CC1=CC2=C(C=C1C)N(C[C@H](O)[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)C1=C(N2)C(=O)N([Si](C)(C)C)C(=O)[NH]1	standard polar	2025-10-24	3044.1
Gas Chromatography	FMNH2_TMS_112	CC1=CC2=C(C=C1C)N([Si](C)(C)C)C1=C([NH]C(=O)[NH]C1=O)N2C[C@H](O)[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	3230.19
Gas Chromatography	FMNH2_TMS_113	CC1=CC2=C(C=C1C)N(C[C@H](O)[C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C)C1=C(N2)C(=O)N([Si](C)(C)C)C(=O)N1[Si](C)(C)C	standard polar	2025-10-24	2576.62
Gas Chromatography	FMNH2_TMS_114	CC1=CC2=C(C=C1C)N([Si](C)(C)C)C1=C(N2C[C@H](O)[C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C)N([Si](C)(C)C)C(=O)[NH]C1=O	standard polar	2025-10-24	2628.45
Gas Chromatography	FMNH2_TMS_115	CC1=CC2=C(C=C1C)N([Si](C)(C)C)C1=C([NH]C(=O)N([Si](C)(C)C)C1=O)N2C[C@H](O)[C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	984.298
Gas Chromatography	FMNH2_TMS_116	CC1=CC2=C(C=C1C)N([Si](C)(C)C)C1=C(N2C[C@H](O)[C@H](O)[C@@H](COP(=O)(O)O)O[Si](C)(C)C)N([Si](C)(C)C)C(=O)N([Si](C)(C)C)C1=O	standard polar	2025-10-24	2753.53
Gas Chromatography	FMNH2_TMS_117	CC1=CC2=C(C=C1C)N(C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C1=C(N2)C(=O)N([Si](C)(C)C)C(=O)N1[Si](C)(C)C	standard polar	2025-10-24	2138.45
Gas Chromatography	FMNH2_TMS_118	CC1=CC2=C(C=C1C)N([Si](C)(C)C)C1=C(N2C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)N([Si](C)(C)C)C(=O)[NH]C1=O	standard polar	2025-10-24	2856.47
Gas Chromatography	FMNH2_TMS_119	CC1=CC2=C(C=C1C)N([Si](C)(C)C)C1=C([NH]C(=O)N([Si](C)(C)C)C1=O)N2C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	1227.38
Gas Chromatography	FMNH2_TMS_120	CC1=CC2=C(C=C1C)N([Si](C)(C)C)C1=C(N2C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)O[Si](C)(C)C)N([Si](C)(C)C)C(=O)N([Si](C)(C)C)C1=O	standard polar	2025-10-24	2268.41
Gas Chromatography	FMNH2_TMS_121	CC1=CC2=C(C=C1C)N(C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)C1=C(N2)C(=O)[NH]C(=O)[NH]1	standard polar	2025-10-24	1611.28
Gas Chromatography	FMNH2_TMS_122	CC1=CC2=C(C=C1C)N(C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C)C1=C(N2)C(=O)[NH]C(=O)N1[Si](C)(C)C	standard polar	2025-10-24	1859.74
Gas Chromatography	FMNH2_TMS_123	CC1=CC2=C(C=C1C)N(C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C)C1=C(N2)C(=O)N([Si](C)(C)C)C(=O)[NH]1	standard polar	2025-10-24	1629.54
Gas Chromatography	FMNH2_TMS_124	CC1=CC2=C(C=C1C)N([Si](C)(C)C)C1=C([NH]C(=O)[NH]C1=O)N2C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	2453.13
Gas Chromatography	FMNH2_TMS_125	CC1=CC2=C(C=C1C)N(C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O)O[Si](C)(C)C)C1=C(N2)C(=O)N([Si](C)(C)C)C(=O)N1[Si](C)(C)C	standard polar	2025-10-24	2204.44
Gas Chromatography	FMNH2_TMS_126	CC1=CC2=C(C=C1C)N([Si](C)(C)C)C1=C(N2C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O)O[Si](C)(C)C)N([Si](C)(C)C)C(=O)[NH]C1=O	standard polar	2025-10-24	3970.46
Gas Chromatography	FMNH2_TMS_127	CC1=CC2=C(C=C1C)N([Si](C)(C)C)C1=C([NH]C(=O)N([Si](C)(C)C)C1=O)N2C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O)O[Si](C)(C)C	standard polar	2025-10-24	747.025
Gas Chromatography	FMNH2_TMS_128	CC1=CC2=C(C=C1C)N(C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C1=C(N2)C(=O)[NH]C(=O)N1[Si](C)(C)C	standard polar	2025-10-24	2498.15
Gas Chromatography	FMNH2_TMS_129	CC1=CC2=C(C=C1C)N(C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C1=C(N2)C(=O)N([Si](C)(C)C)C(=O)[NH]1	standard polar	2025-10-24	1855.02
Gas Chromatography	FMNH2_TMS_130	CC1=CC2=C(C=C1C)N([Si](C)(C)C)C1=C([NH]C(=O)[NH]C1=O)N2C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	2343.26
Gas Chromatography	FMNH2_TMS_131	CC1=CC2=C(C=C1C)N(C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O)O[Si](C)(C)C)C1=C(N2)C(=O)N([Si](C)(C)C)C(=O)N1[Si](C)(C)C	standard polar	2025-10-24	2457.47
Gas Chromatography	FMNH2_TMS_132	CC1=CC2=C(C=C1C)N([Si](C)(C)C)C1=C(N2C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O)O[Si](C)(C)C)N([Si](C)(C)C)C(=O)[NH]C1=O	standard polar	2025-10-24	3016.47
Gas Chromatography	FMNH2_TMS_133	CC1=CC2=C(C=C1C)N([Si](C)(C)C)C1=C([NH]C(=O)N([Si](C)(C)C)C1=O)N2C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O)O[Si](C)(C)C	standard polar	2025-10-24	2122.17
Gas Chromatography	FMNH2_TMS_134	CC1=CC2=C(C=C1C)N([Si](C)(C)C)C1=C(N2C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O)O)N([Si](C)(C)C)C(=O)N([Si](C)(C)C)C1=O	standard polar	2025-10-24	2177.8
Gas Chromatography	FMNH2_TMS_135	CC1=CC2=C(C=C1C)N(C[C@H](O[Si](C)(C)C)[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)C1=C(N2)C(=O)[NH]C(=O)N1[Si](C)(C)C	standard polar	2025-10-24	2494.57
Gas Chromatography	FMNH2_TMS_136	CC1=CC2=C(C=C1C)N(C[C@H](O[Si](C)(C)C)[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)C1=C(N2)C(=O)N([Si](C)(C)C)C(=O)[NH]1	standard polar	2025-10-24	3773.52
Gas Chromatography	FMNH2_TMS_137	CC1=CC2=C(C=C1C)N([Si](C)(C)C)C1=C([NH]C(=O)[NH]C1=O)N2C[C@H](O[Si](C)(C)C)[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	3047.38
Gas Chromatography	FMNH2_TMS_138	CC1=CC2=C(C=C1C)N(C[C@H](O[Si](C)(C)C)[C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C)C1=C(N2)C(=O)N([Si](C)(C)C)C(=O)N1[Si](C)(C)C	standard polar	2025-10-24	2193.86
Gas Chromatography	FMNH2_TMS_139	CC1=CC2=C(C=C1C)N([Si](C)(C)C)C1=C(N2C[C@H](O[Si](C)(C)C)[C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C)N([Si](C)(C)C)C(=O)[NH]C1=O	standard polar	2025-10-24	2858.96
Gas Chromatography	FMNH2_TMS_140	CC1=CC2=C(C=C1C)N([Si](C)(C)C)C1=C([NH]C(=O)N([Si](C)(C)C)C1=O)N2C[C@H](O[Si](C)(C)C)[C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	2815.37
Gas Chromatography	FMNH2_TMS_141	CC1=CC2=C(C=C1C)N([Si](C)(C)C)C1=C(N2C[C@H](O[Si](C)(C)C)[C@H](O)[C@@H](COP(=O)(O)O)O[Si](C)(C)C)N([Si](C)(C)C)C(=O)N([Si](C)(C)C)C1=O	standard polar	2025-10-24	351.223
Gas Chromatography	FMNH2_TMS_142	CC1=CC2=C(C=C1C)N(C[C@H](O[Si](C)(C)C)[C@H](O)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C1=C(N2)C(=O)N([Si](C)(C)C)C(=O)N1[Si](C)(C)C	standard polar	2025-10-24	1429.52
Gas Chromatography	FMNH2_TMS_143	CC1=CC2=C(C=C1C)N([Si](C)(C)C)C1=C(N2C[C@H](O[Si](C)(C)C)[C@H](O)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)N([Si](C)(C)C)C(=O)[NH]C1=O	standard polar	2025-10-24	2343.64
Gas Chromatography	FMNH2_TMS_144	CC1=CC2=C(C=C1C)N([Si](C)(C)C)C1=C([NH]C(=O)N([Si](C)(C)C)C1=O)N2C[C@H](O[Si](C)(C)C)[C@H](O)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	3482.55
Gas Chromatography	FMNH2_TMS_145	CC1=CC2=C(C=C1C)N([Si](C)(C)C)C1=C(N2C[C@H](O[Si](C)(C)C)[C@H](O)[C@H](O)COP(=O)(O)O[Si](C)(C)C)N([Si](C)(C)C)C(=O)N([Si](C)(C)C)C1=O	standard polar	2025-10-24	2938.04
Gas Chromatography	FMNH2_TMS_146	CC1=CC2=C(C=C1C)N(C[C@H](O)[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)C1=C(N2)C(=O)[NH]C(=O)N1[Si](C)(C)C	standard polar	2025-10-24	1576.41
Gas Chromatography	FMNH2_TMS_147	CC1=CC2=C(C=C1C)N(C[C@H](O)[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)C1=C(N2)C(=O)N([Si](C)(C)C)C(=O)[NH]1	standard polar	2025-10-24	3331.84
Gas Chromatography	FMNH2_TMS_148	CC1=CC2=C(C=C1C)N([Si](C)(C)C)C1=C([NH]C(=O)[NH]C1=O)N2C[C@H](O)[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	1217.78
Gas Chromatography	FMNH2_TMS_149	CC1=CC2=C(C=C1C)N(C[C@H](O)[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C)C1=C(N2)C(=O)N([Si](C)(C)C)C(=O)N1[Si](C)(C)C	standard polar	2025-10-24	2079.32
Gas Chromatography	FMNH2_TMS_150	CC1=CC2=C(C=C1C)N([Si](C)(C)C)C1=C(N2C[C@H](O)[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C)N([Si](C)(C)C)C(=O)[NH]C1=O	standard polar	2025-10-24	3127.88
Gas Chromatography	FMNH2_TMS_151	CC1=CC2=C(C=C1C)N([Si](C)(C)C)C1=C([NH]C(=O)N([Si](C)(C)C)C1=O)N2C[C@H](O)[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	2925.16
Gas Chromatography	FMNH2_TMS_152	CC1=CC2=C(C=C1C)N([Si](C)(C)C)C1=C(N2C[C@H](O)[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O)O[Si](C)(C)C)N([Si](C)(C)C)C(=O)N([Si](C)(C)C)C1=O	standard polar	2025-10-24	4543.42
Gas Chromatography	FMNH2_TMS_153	CC1=CC2=C(C=C1C)N(C[C@H](O)[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C1=C(N2)C(=O)N([Si](C)(C)C)C(=O)N1[Si](C)(C)C	standard polar	2025-10-24	2401.4
Gas Chromatography	FMNH2_TMS_154	CC1=CC2=C(C=C1C)N([Si](C)(C)C)C1=C(N2C[C@H](O)[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)N([Si](C)(C)C)C(=O)[NH]C1=O	standard polar	2025-10-24	3023.1
Gas Chromatography	FMNH2_TMS_155	CC1=CC2=C(C=C1C)N([Si](C)(C)C)C1=C([NH]C(=O)N([Si](C)(C)C)C1=O)N2C[C@H](O)[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	1022.37
Gas Chromatography	FMNH2_TMS_156	CC1=CC2=C(C=C1C)N([Si](C)(C)C)C1=C(N2C[C@H](O)[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O)O[Si](C)(C)C)N([Si](C)(C)C)C(=O)N([Si](C)(C)C)C1=O	standard polar	2025-10-24	2563.08
Gas Chromatography	FMNH2_TMS_157	CC1=CC2=C(C=C1C)N(C[C@H](O)[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)C1=C(N2)C(=O)N([Si](C)(C)C)C(=O)N1[Si](C)(C)C	standard polar	2025-10-24	2066.03
Gas Chromatography	FMNH2_TMS_158	CC1=CC2=C(C=C1C)N([Si](C)(C)C)C1=C(N2C[C@H](O)[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)N([Si](C)(C)C)C(=O)[NH]C1=O	standard polar	2025-10-24	2365.25
Gas Chromatography	FMNH2_TMS_159	CC1=CC2=C(C=C1C)N([Si](C)(C)C)C1=C([NH]C(=O)N([Si](C)(C)C)C1=O)N2C[C@H](O)[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	2907.28
Gas Chromatography	FMNH2_TMS_160	CC1=CC2=C(C=C1C)N([Si](C)(C)C)C1=C(N2C[C@H](O)[C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C)N([Si](C)(C)C)C(=O)N([Si](C)(C)C)C1=O	standard polar	2025-10-24	2788.45
Gas Chromatography	FMNH2_TMS_161	CC1=CC2=C(C=C1C)N([Si](C)(C)C)C1=C(N2C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)N([Si](C)(C)C)C(=O)N([Si](C)(C)C)C1=O	standard polar	2025-10-24	2138.25
Gas Chromatography	FMNH2_TMS_162	CC1=CC2=C(C=C1C)N(C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)C1=C(N2)C(=O)[NH]C(=O)N1[Si](C)(C)C	standard polar	2025-10-24	1326.06
Gas Chromatography	FMNH2_TMS_163	CC1=CC2=C(C=C1C)N(C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)C1=C(N2)C(=O)N([Si](C)(C)C)C(=O)[NH]1	standard polar	2025-10-24	2684.78
Gas Chromatography	FMNH2_TMS_164	CC1=CC2=C(C=C1C)N([Si](C)(C)C)C1=C([NH]C(=O)[NH]C1=O)N2C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	676.164
Gas Chromatography	FMNH2_TMS_165	CC1=CC2=C(C=C1C)N(C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C)C1=C(N2)C(=O)N([Si](C)(C)C)C(=O)N1[Si](C)(C)C	standard polar	2025-10-24	2073.96
Gas Chromatography	FMNH2_TMS_166	CC1=CC2=C(C=C1C)N([Si](C)(C)C)C1=C(N2C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C)N([Si](C)(C)C)C(=O)[NH]C1=O	standard polar	2025-10-24	2203.19
Gas Chromatography	FMNH2_TMS_167	CC1=CC2=C(C=C1C)N([Si](C)(C)C)C1=C([NH]C(=O)N([Si](C)(C)C)C1=O)N2C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	2310.01
Gas Chromatography	FMNH2_TMS_168	CC1=CC2=C(C=C1C)N([Si](C)(C)C)C1=C(N2C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O)O[Si](C)(C)C)N([Si](C)(C)C)C(=O)N([Si](C)(C)C)C1=O	standard polar	2025-10-24	2922.97
Gas Chromatography	FMNH2_TMS_169	CC1=CC2=C(C=C1C)N(C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C1=C(N2)C(=O)N([Si](C)(C)C)C(=O)N1[Si](C)(C)C	standard polar	2025-10-24	2789.81
Gas Chromatography	FMNH2_TMS_170	CC1=CC2=C(C=C1C)N([Si](C)(C)C)C1=C(N2C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)N([Si](C)(C)C)C(=O)[NH]C1=O	standard polar	2025-10-24	1583.16
Gas Chromatography	FMNH2_TMS_171	CC1=CC2=C(C=C1C)N([Si](C)(C)C)C1=C([NH]C(=O)N([Si](C)(C)C)C1=O)N2C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	1305.84
Gas Chromatography	FMNH2_TMS_172	CC1=CC2=C(C=C1C)N([Si](C)(C)C)C1=C(N2C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O)O[Si](C)(C)C)N([Si](C)(C)C)C(=O)N([Si](C)(C)C)C1=O	standard polar	2025-10-24	3353.67
Gas Chromatography	FMNH2_TMS_173	CC1=CC2=C(C=C1C)N(C[C@H](O[Si](C)(C)C)[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)C1=C(N2)C(=O)N([Si](C)(C)C)C(=O)N1[Si](C)(C)C	standard polar	2025-10-24	3181.55
Gas Chromatography	FMNH2_TMS_174	CC1=CC2=C(C=C1C)N([Si](C)(C)C)C1=C(N2C[C@H](O[Si](C)(C)C)[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)N([Si](C)(C)C)C(=O)[NH]C1=O	standard polar	2025-10-24	2635.79
Gas Chromatography	FMNH2_TMS_175	CC1=CC2=C(C=C1C)N([Si](C)(C)C)C1=C([NH]C(=O)N([Si](C)(C)C)C1=O)N2C[C@H](O[Si](C)(C)C)[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	1118.7
Gas Chromatography	FMNH2_TMS_176	CC1=CC2=C(C=C1C)N([Si](C)(C)C)C1=C(N2C[C@H](O[Si](C)(C)C)[C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C)N([Si](C)(C)C)C(=O)N([Si](C)(C)C)C1=O	standard polar	2025-10-24	1132.85
Gas Chromatography	FMNH2_TMS_177	CC1=CC2=C(C=C1C)N([Si](C)(C)C)C1=C(N2C[C@H](O[Si](C)(C)C)[C@H](O)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)N([Si](C)(C)C)C(=O)N([Si](C)(C)C)C1=O	standard polar	2025-10-24	-23.7528
Gas Chromatography	FMNH2_TMS_178	CC1=CC2=C(C=C1C)N(C[C@H](O)[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)C1=C(N2)C(=O)N([Si](C)(C)C)C(=O)N1[Si](C)(C)C	standard polar	2025-10-24	3127.78
Gas Chromatography	FMNH2_TMS_179	CC1=CC2=C(C=C1C)N([Si](C)(C)C)C1=C(N2C[C@H](O)[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)N([Si](C)(C)C)C(=O)[NH]C1=O	standard polar	2025-10-24	2610.42
Gas Chromatography	FMNH2_TMS_180	CC1=CC2=C(C=C1C)N([Si](C)(C)C)C1=C([NH]C(=O)N([Si](C)(C)C)C1=O)N2C[C@H](O)[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	1290.54
Gas Chromatography	FMNH2_TMS_181	CC1=CC2=C(C=C1C)N([Si](C)(C)C)C1=C(N2C[C@H](O)[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C)N([Si](C)(C)C)C(=O)N([Si](C)(C)C)C1=O	standard polar	2025-10-24	1375.81
Gas Chromatography	FMNH2_TMS_182	CC1=CC2=C(C=C1C)N([Si](C)(C)C)C1=C(N2C[C@H](O)[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)N([Si](C)(C)C)C(=O)N([Si](C)(C)C)C1=O	standard polar	2025-10-24	2620.88
Gas Chromatography	FMNH2_TMS_183	CC1=CC2=C(C=C1C)N([Si](C)(C)C)C1=C(N2C[C@H](O)[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)N([Si](C)(C)C)C(=O)N([Si](C)(C)C)C1=O	standard polar	2025-10-24	857.688

Biological Properties

Cellular Locations

Cytoplasm

Biospecimen Locations

Not Available

Tissue Locations

Not Available

Associated OMIM IDs

114500 (Colorectal cancer)
610247 (Eosinophilic esophagitis)

Human Proteins and Enzymes

Protein ID	Protein Name	Protein Type	Uniprot ID	Species

Human Pathways

Pathways

Name	SMPDB/PathBank
Bloch Pathway (Cholesterol Biosynthesis)
Kandutsch-Russell Pathway (Cholesterol Biosynthesis)
Mevalonate Pathway

Microbial Pathways

Pathways

Not Available

Metabolic Reactions

Reactions

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

See All Associated Reactions

Reaction ID	Precursor	Product	Enzyme	Reaction Type	Data Source	Reference
MMDBr0018554	FMNH2	Flavin mononucleotide	Alkanesulfonate monooxygenase	Oxygenation	PathBank	31602464
MMDBr0018559	Butanesulfonate	Flavin mononucleotide	Alkanesulfonate monooxygenase	Oxygenation	PathBank	31602464
MMDBr0018563	Methanesulfonate	Flavin mononucleotide	Alkanesulfonate monooxygenase	Oxygenation	PathBank	31602464
MMDBr0019175	Uracil	Flavin mononucleotide	Pyrimidine monooxygenase RutA	Oxygenation	PathBank	31602464
MMDBr0024553	FMNH2	Flavin mononucleotide	Bifunctional cytochrome P450/NADPH--P450 reductase 2	Reduction	RHEA	34755880
MMDBr0024554	FMNH2	Flavin mononucleotide	Alkanal monooxygenase beta chain	Oxygenation	RHEA	34755880
MMDBr0024584	D-Limonene	Aromatic oxo acid	Limonene hydroxylase	Hydroxylation	RHEA	34755880
MMDBr0024621	Glycine	5'-Deoxyadenosine	Pyruvate formate-lyase-activating enzyme	Non-hydrolytic bond cleavage (or its reversal)	RHEA	34755880
MMDBr0024731	FMNH2	Flavin mononucleotide	Alkanesulfonate monooxygenase	Oxygenation	RHEA	34755880
MMDBr0024741	D-Limonene	(4S)-perillyl alcohol	Limonene hydroxylase	Hydroxylation	RHEA	34755880
MMDBr0025311	FMNH2	Flavin mononucleotide	Long-chain alkane monooxygenase	Oxygenation	RHEA	34755880
MMDBr0025433	FMNH2	Flavin mononucleotide	Biotin biosynthesis cytochrome P450	Synthesis	RHEA	34755880
MMDBr0025474	FMNH2	Flavin mononucleotide	4-(gamma-L-glutamylamino)butanoyl-[BtrI acyl-carrier protein] monooxygenase BtrO	Oxygenation	RHEA	34755880
MMDBr0025476	FMNH2	formate	Lanosterol 14-alpha demethylase	Demethylation	RHEA	34755880
MMDBr0025477	FMNH2	formate	Sterol 14-alpha demethylase	Demethylation	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	Proteobacteria	7	Human ; Human feces; Human feces; pleural fluid plaque; bal; Pig ; Cattle ; Rat ; Dog ; Lion ; Chicken ; Human sputum; Human subgingival plaque	Unknown
Bacteria	Actinobacteria	4	Human ; Human feces; Cattle
Bacteria/Eubacteria	Actinobacteria	42	Human ; Human feces; Cattle
Bacteria/Eubacteria	Proteobacteria	322	Human ; Human feces; Human feces; pleural fluid plaque; bal; Pig ; Cattle ; Rat ; Dog ; Lion ; Chicken ; Human sputum; Human subgingival plaque	Unknown
Eukaryota/Fungi	Ascomycota	39	Human feces; Human supragingival plaque; Human saliva	Unknown
Bacteria/Eubacteria	Firmicutes	54	Human feces; Human ; Catfish ; Human subgingival plaque; Human saliva
Bacteria/Eubacteria	Cyanobacteria	2
Bacteria	nah	3
Bacteria	Firmicutes	1	Human feces; Human ; Catfish ; Human subgingival plaque; Human saliva
Archaea/Archaea	Crenarchaeota	1
Bacteria/Eubacteria	Aquificae	4
Archaea/Archaea	Euryarchaeota	6
Bacteria/Eubacteria	Chlamydiae	10	Human ; Sheep ; Cat
Bacteria/Eubacteria	Deinococcus-thermus	4
Archaea	Crenarchaeota	1
Bacteria/Eubacteria	Verrucomicrobia	1	Human ; Human feces
Bacteria/Eubacteria	Bacteroidetes	6	Human ; Human feces
Bacteria/Eubacteria	Chlorobi	1
Bacteria/Eubacteria	Chloroflexi	2
Bacteria/Eubacteria	Fusobacteria	1	Human ; Human feces
Bacteria/Eubacteria	Acidobacteria	2
Bacteria/Eubacteria	Spirochaetes	6	Human
Bacteria/Eubacteria	Tenericutes	2	Human
Bacteria/Eubacteria	Thermotogae	5
Bacteria/Eubacteria	Planctomycetes	1
Bacteria/Eubacteria	Nitrospirae	1
Eukaryota/Fungi	Basidiomycota	1

Exposure Sources

Other Exposures

Source Type	Data Source	Reference

Host Biospecimen and Location

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

External Links

HMDB ID

HMDB0001142

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB022449

KNApSAcK ID

Not Available

Chemspider ID

393046

KEGG Compound ID

C01847

BioCyc ID

FMNH2

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

6034

PubChem Compound

445395

PDB ID

Not Available

ChEBI ID

16048

Food Biomarker Ontology

Not Available

CMMC Knowledgebase

Not Available

General References

Wishart DS, Li C, Marcu A, Badran H, Pon A, Budinski Z, Patron J, Lipton D, Cao X, Oler E, Li K, Paccoud M, Hong C, Guo AC, Chan C, Wei W, Ramirez-Gaona M: PathBank: a comprehensive pathway database for model organisms. Nucleic Acids Res. 2020 Jan 8;48(D1):D470-D478. doi: 10.1093/nar/gkz861. [PubMed:31602464 ]
Bansal P, Morgat A, Axelsen KB, Muthukrishnan V, Coudert E, Aimo L, Hyka-Nouspikel N, Gasteiger E, Kerhornou A, Neto TB, Pozzato M, Blatter MC, Ignatchenko A, Redaschi N, Bridge A: Rhea, the reaction knowledgebase in 2022. Nucleic Acids Res. 2022 Jan 7;50(D1):D693-D700. doi: 10.1093/nar/gkab1016. [PubMed:34755880 ]

Showing metabocard for FMNH2 (MMDBc0031992)

MOL for #<Metabolite:0x00007f9ac720ece8>

3D MOL for #<Metabolite:0x00007f9ac720ece8>

3D SDF for #<Metabolite:0x00007f9ac720ece8>

3D-SDF for #<Metabolite:0x00007f9ac720ece8>

PDB for #<Metabolite:0x00007f9ac720ece8>

3D PDB for #<Metabolite:0x00007f9ac720ece8>

SMILES for #<Metabolite:0x00007f9ac720ece8>

INCHI for #<Metabolite:0x00007f9ac720ece8>

Structure for #<Metabolite:0x00007f9ac720ece8>

3D Structure for #<Metabolite:0x00007f9ac720ece8>