MiMeDB: Showing metabocard for Factor Fo (MMDBc0015934)

Record Information

Version

2.0

Status

Detected and Quantified

Creation Date

2021-05-15 06:41:05 UTC

Update Date

2025-10-07 16:06:29 UTC

Metabolite ID

MMDBc0015934

Metabolite Identification

Common Name

Factor Fo

Description

Factor Fo is a metabolite belonging to the class of organic compounds. There is limited literature available on Factor Fo, indicating that further research is needed to fully understand its properties and biological significance.

Structure

MOL SDF PDB SMILES InChI


  Mrv1652305152108412D          

 26 28  0  0  0  0            999 V2000
   -1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  7  1  1  0  0  0  0
  7  3  2  0  0  0  0
  8  2  1  0  0  0  0
  8  4  1  0  0  0  0
  9  3  1  0  0  0  0
 10  4  2  0  0  0  0
 10  7  1  0  0  0  0
 11  5  1  0  0  0  0
 12  6  1  0  0  0  0
 13 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14  9  2  0  0  0  0
 15  9  1  0  0  0  0
 17 14  1  0  0  0  0
 17 16  2  0  0  0  0
 18 15  2  0  0  0  0
 18 16  1  0  0  0  0
 19  5  1  0  0  0  0
 19 10  1  0  0  0  0
 19 14  1  0  0  0  0
 20  6  1  0  0  0  0
 21  8  2  0  0  0  0
 22 11  1  0  0  0  0
 23 12  1  0  0  0  0
 24 13  1  0  0  0  0
 25 15  1  0  0  0  0
 26 16  1  0  0  0  0
M  END


  Mrv1652305152108412D          

 26 28  0  0  0  0            999 V2000
   -1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  7  1  1  0  0  0  0
  7  3  2  0  0  0  0
  8  2  1  0  0  0  0
  8  4  1  0  0  0  0
  9  3  1  0  0  0  0
 10  4  2  0  0  0  0
 10  7  1  0  0  0  0
 11  5  1  0  0  0  0
 12  6  1  0  0  0  0
 13 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14  9  2  0  0  0  0
 15  9  1  0  0  0  0
 17 14  1  0  0  0  0
 17 16  2  0  0  0  0
 18 15  2  0  0  0  0
 18 16  1  0  0  0  0
 19  5  1  0  0  0  0
 19 10  1  0  0  0  0
 19 14  1  0  0  0  0
 20  6  1  0  0  0  0
 21  8  2  0  0  0  0
 22 11  1  0  0  0  0
 23 12  1  0  0  0  0
 24 13  1  0  0  0  0
 25 15  1  0  0  0  0
 26 16  1  0  0  0  0
M  END
> <DATABASE_ID>
MMDBc0015934

> <DATABASE_NAME>
MIME

> <SMILES>
OCC(O)C(O)C(O)CN1C2=CC(=O)C=CC2=CC2=C1N=C(O)N=C2O

> <INCHI_IDENTIFIER>
InChI=1S/C16H17N3O7/c20-6-12(23)13(24)11(22)5-19-10-4-8(21)2-1-7(10)3-9-14(19)17-16(26)18-15(9)25/h1-4,11-13,20,22-24H,5-6H2,(H2,17,18,25,26)

> <INCHI_KEY>
HJMIIBXYFPJZBP-UHFFFAOYSA-N

> <FORMULA>
C16H17N3O7

> <MOLECULAR_WEIGHT>
363.326

> <EXACT_MASS>
363.106649899

> <JCHEM_ACCEPTOR_COUNT>
10

> <JCHEM_ATOM_COUNT>
43

> <JCHEM_AVERAGE_POLARIZABILITY>
34.84275909080226

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2,4-dihydroxy-10-(2,3,4,5-tetrahydroxypentyl)-8H,10H-pyrimido[4,5-b]quinolin-8-one

> <ALOGPS_LOGP>
-0.91

> <JCHEM_LOGP>
-0.901885015333333

> <ALOGPS_LOGS>
-1.81

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.420501494535102

> <JCHEM_PKA_STRONGEST_ACIDIC>
10.473468175993254

> <JCHEM_PKA_STRONGEST_BASIC>
1.6098766711797385

> <JCHEM_POLAR_SURFACE_AREA>
167.47

> <JCHEM_REFRACTIVITY>
93.96709999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
5.61e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2,4-dihydroxy-10-(2,3,4,5-tetrahydroxypentyl)pyrimido[4,5-b]quinolin-8-one

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 15-MAY-21   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   15-MAY-21         0                                  
HETATM    1  C   UNK     0      -2.667  -3.080   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -2.667  -4.620   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -1.334  -0.770   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       0.000  -4.620   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       2.667  -3.080   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       8.002  -3.080   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -1.334  -2.310   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -1.334  -5.390   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       0.000  -3.080   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       4.001  -2.310   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       6.668  -2.310   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       5.335  -3.080   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       0.000   1.540   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       2.667   1.540   0.000  0.00  0.00           C+0
HETATM   17  N   UNK     0       2.667   0.000   0.000  0.00  0.00           N+0
HETATM   18  N   UNK     0       1.334   2.310   0.000  0.00  0.00           N+0
HETATM   19  N   UNK     0       1.334  -2.310   0.000  0.00  0.00           N+0
HETATM   20  O   UNK     0       9.336  -2.310   0.000  0.00  0.00           O+0
HETATM   21  O   UNK     0      -1.334  -6.930   0.000  0.00  0.00           O+0
HETATM   22  O   UNK     0       4.001  -0.770   0.000  0.00  0.00           O+0
HETATM   23  O   UNK     0       6.668  -0.770   0.000  0.00  0.00           O+0
HETATM   24  O   UNK     0       5.335  -4.620   0.000  0.00  0.00           O+0
HETATM   25  O   UNK     0      -1.334   2.310   0.000  0.00  0.00           O+0
HETATM   26  O   UNK     0       4.001   2.310   0.000  0.00  0.00           O+0
CONECT    1    2    7                                                       
CONECT    2    1    8                                                       
CONECT    3    7    9                                                       
CONECT    4    8   10                                                       
CONECT    5   11   19                                                       
CONECT    6   12   20                                                       
CONECT    7    1    3   10                                                  
CONECT    8    2    4   21                                                  
CONECT    9    3   14   15                                                  
CONECT   10    4    7   19                                                  
CONECT   11    5   13   22                                                  
CONECT   12    6   13   23                                                  
CONECT   13   11   12   24                                                  
CONECT   14    9   17   19                                                  
CONECT   15    9   18   25                                                  
CONECT   16   17   18   26                                                  
CONECT   17   14   16                                                       
CONECT   18   15   16                                                       
CONECT   19    5   10   14                                                  
CONECT   20    6                                                            
CONECT   21    8                                                            
CONECT   22   11                                                            
CONECT   23   12                                                            
CONECT   24   13                                                            
CONECT   25   15                                                            
CONECT   26   16                                                            
MASTER        0    0    0    0    0    0    0    0   26    0   56    0
END

Synonyms

Value	Source
7,8-Didemethyl-8-hydroxy-5-deazariboflavin	MeSH
Factor 420	MeSH
8-HDF CPD	MeSH

Molecular Formula

C₁₆H₁₇N₃O₇

Average Mass

363.326

Monoisotopic Mass

363.106649899

IUPAC Name

2,4-dihydroxy-10-(2,3,4,5-tetrahydroxypentyl)-8H,10H-pyrimido[4,5-b]quinolin-8-one

Traditional Name

2,4-dihydroxy-10-(2,3,4,5-tetrahydroxypentyl)pyrimido[4,5-b]quinolin-8-one

CAS Registry Number

Not Available

SMILES

OCC(O)C(O)C(O)CN1C2=CC(=O)C=CC2=CC2=C1N=C(O)N=C2O

InChI Identifier

InChI=1S/C16H17N3O7/c20-6-12(23)13(24)11(22)5-19-10-4-8(21)2-1-7(10)3-9-14(19)17-16(26)18-15(9)25/h1-4,11-13,20,22-24H,5-6H2,(H2,17,18,25,26)

InChI Key

HJMIIBXYFPJZBP-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as quinolines and derivatives. Quinolines and derivatives are compounds containing a quinoline moiety, which consists of a benzene ring fused to a pyrimidine ring to form benzo[b]azabenzene.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Quinolines and derivatives

Sub Class

Not Available

Direct Parent

Quinolines and derivatives

Alternative Parents

Substituents

Pyrido[2,3-d]pyrimidine
Quinoline
Pyridopyrimidine
Pyrimidone
Benzenoid
Pyrimidine
Pyridine
Heteroaromatic compound
Vinylogous amide
Cyclic ketone
Urea
Secondary alcohol
Lactam
Azacycle
Polyol
Organic nitrogen compound
Organic oxygen compound
Organopnictogen compound
Organic oxide
Hydrocarbon derivative
Primary alcohol
Organooxygen compound
Organonitrogen compound
Alcohol
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

Not Available

Functional Ontology

Not Available

Physical Properties

State

Expected Solid

Predicted Properties

Property	Value	Source
Water Solubility	5.61 g/L	ALOGPS
logP	-0.91	ALOGPS
logP	-0.9	ChemAxon
logS	-1.8	ALOGPS
pKa (Strongest Acidic)	10.47	ChemAxon
pKa (Strongest Basic)	1.61	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	10	ChemAxon
Hydrogen Donor Count	6	ChemAxon
Polar Surface Area	167.47 Å²	ChemAxon
Rotatable Bond Count	5	ChemAxon
Refractivity	93.97 m³·mol⁻¹	ChemAxon
Polarizability	34.84 Å³	ChemAxon
Number of Rings	3	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Spectra

Not Available

Chromatographic Retention Times and Retention Indices

Retention Times

Chromatography Type	Technique	Column	Deposition Date	Retention Time (s)
Liquid Chromatography	HILIC	Waters Acquity UPLC-BEH Amide column (eluted)	2025-10-23	513.8
Liquid Chromatography	HILIC	Accucore 150 Amide HILIC (eluted)	2025-10-23	238.8
Liquid Chromatography	Reversed-phase	Hypersil Gold 1.9 µm C18 (void)	2025-10-23	51.8
Liquid Chromatography	Reversed-phase	Agilent Zorbax Eclipse Plus C18 (2.1 mm x 150 mm, 3.5 um) (eluted)	2025-10-23	254.6
Liquid Chromatography	Reversed-phase	XBridge C18 3.5u 2.1x50 mm (eluted)	2025-10-23	370.9
Liquid Chromatography	Reversed-phase	Ascentis Express C18 (eluted)	2025-10-23	272.7
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (eluted)	2025-10-23	1171.0
Liquid Chromatography	HILIC	Merck SeQuant ZIC-HILIC (eluted)	2025-10-23	601.9
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC (eluted)	2025-10-23	867.5
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (eluted)	2025-10-23	139.1
Liquid Chromatography	HILIC	Merck SeQuant ZIC-HILIC (eluted)	2025-10-23	352.7
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (eluted)	2025-10-23	142.4
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (eluted)	2025-10-23	39.9
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC column (eluted)	2025-10-23	235.2
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC column (eluted)	2025-10-23	723.7
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (eluted)	2025-10-23	99.1
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (eluted)	2025-10-23	233.4
Liquid Chromatography	Reversed-phase	Kinetex Core-Shell C18 2.6 um, 3.0 x 100 mm, Phenomenex (eluted)	2025-10-23	917.4
Liquid Chromatography	Reversed-phase	Waters Atlantis T3 (2.1 x 150 mm, 5 um) (eluted)	2025-10-23	600.6

Retention Indices

Chromatography Type	Peak Label	SMILES	Stationary Phase	Deposition Date	Retention Index
Gas Chromatography	Factor Fo_TMS_1	C[Si](C)(C)OCC(O)C(O)C(O)CN1C2=CC(=O)C=CC2=CC2=C(O)N=C(O)N=C21	standard non polar	2025-10-23	2532.58
Gas Chromatography	Factor Fo_TMS_2	C[Si](C)(C)OC(CO)C(O)C(O)CN1C2=CC(=O)C=CC2=CC2=C(O)N=C(O)N=C21	standard non polar	2025-10-23	1982.49
Gas Chromatography	Factor Fo_TMS_3	C[Si](C)(C)OC(C(O)CO)C(O)CN1C2=CC(=O)C=CC2=CC2=C(O)N=C(O)N=C21	standard non polar	2025-10-23	2730.15
Gas Chromatography	Factor Fo_TMS_4	C[Si](C)(C)OC(CN1C2=CC(=O)C=CC2=CC2=C(O)N=C(O)N=C21)C(O)C(O)CO	standard non polar	2025-10-23	2055.89
Gas Chromatography	Factor Fo_TMS_5	C[Si](C)(C)OC1=NC(O)=C2C=C3C=CC(=O)C=C3N(CC(O)C(O)C(O)CO)C2=N1	standard non polar	2025-10-23	2440.53
Gas Chromatography	Factor Fo_TMS_6	C[Si](C)(C)OC1=NC(O)=NC2=C1C=C1C=CC(=O)C=C1N2CC(O)C(O)C(O)CO	standard non polar	2025-10-23	1727.56
Gas Chromatography	Factor Fo_TMS_7	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O)C(O)CN1C2=CC(=O)C=CC2=CC2=C(O)N=C(O)N=C21	standard non polar	2025-10-23	1791.16
Gas Chromatography	Factor Fo_TMS_8	C[Si](C)(C)OCC(O)C(O[Si](C)(C)C)C(O)CN1C2=CC(=O)C=CC2=CC2=C(O)N=C(O)N=C21	standard non polar	2025-10-23	2323.15
Gas Chromatography	Factor Fo_TMS_9	C[Si](C)(C)OCC(O)C(O)C(CN1C2=CC(=O)C=CC2=CC2=C(O)N=C(O)N=C21)O[Si](C)(C)C	standard non polar	2025-10-23	2573.31
Gas Chromatography	Factor Fo_TMS_10	C[Si](C)(C)OCC(O)C(O)C(O)CN1C2=CC(=O)C=CC2=CC2=C(O[Si](C)(C)C)N=C(O)N=C21	standard non polar	2025-10-23	1697.17
Gas Chromatography	Factor Fo_TMS_11	C[Si](C)(C)OCC(O)C(O)C(O)CN1C2=CC(=O)C=CC2=CC2=C(O)N=C(O[Si](C)(C)C)N=C21	standard non polar	2025-10-23	2124.09
Gas Chromatography	Factor Fo_TMS_12	C[Si](C)(C)OC(CO)C(O[Si](C)(C)C)C(O)CN1C2=CC(=O)C=CC2=CC2=C(O)N=C(O)N=C21	standard non polar	2025-10-23	2683.77
Gas Chromatography	Factor Fo_TMS_13	C[Si](C)(C)OC(CO)C(O)C(CN1C2=CC(=O)C=CC2=CC2=C(O)N=C(O)N=C21)O[Si](C)(C)C	standard non polar	2025-10-23	2408.04
Gas Chromatography	Factor Fo_TMS_14	C[Si](C)(C)OC1=NC(O)=NC2=C1C=C1C=CC(=O)C=C1N2CC(O)C(O)C(CO)O[Si](C)(C)C	standard non polar	2025-10-23	2017.36
Gas Chromatography	Factor Fo_TMS_15	C[Si](C)(C)OC1=NC(O)=C2C=C3C=CC(=O)C=C3N(CC(O)C(O)C(CO)O[Si](C)(C)C)C2=N1	standard non polar	2025-10-23	1929.47
Gas Chromatography	Factor Fo_TMS_16	C[Si](C)(C)OC(CN1C2=CC(=O)C=CC2=CC2=C(O)N=C(O)N=C21)C(O[Si](C)(C)C)C(O)CO	standard non polar	2025-10-23	1345.87
Gas Chromatography	Factor Fo_TMS_17	C[Si](C)(C)OC1=NC(O)=NC2=C1C=C1C=CC(=O)C=C1N2CC(O)C(O[Si](C)(C)C)C(O)CO	standard non polar	2025-10-23	1604.34
Gas Chromatography	Factor Fo_TMS_18	C[Si](C)(C)OC1=NC(O)=C2C=C3C=CC(=O)C=C3N(CC(O)C(O[Si](C)(C)C)C(O)CO)C2=N1	standard non polar	2025-10-23	2164.31
Gas Chromatography	Factor Fo_TMS_19	C[Si](C)(C)OC1=NC(O)=NC2=C1C=C1C=CC(=O)C=C1N2CC(O[Si](C)(C)C)C(O)C(O)CO	standard non polar	2025-10-23	2106.45
Gas Chromatography	Factor Fo_TMS_20	C[Si](C)(C)OC1=NC(O)=C2C=C3C=CC(=O)C=C3N(CC(O[Si](C)(C)C)C(O)C(O)CO)C2=N1	standard non polar	2025-10-23	1114.96
Gas Chromatography	Factor Fo_TMS_21	C[Si](C)(C)OC1=NC(O[Si](C)(C)C)=C2C=C3C=CC(=O)C=C3N(CC(O)C(O)C(O)CO)C2=N1	standard non polar	2025-10-23	2722.1
Gas Chromatography	Factor Fo_TMS_22	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)CN1C2=CC(=O)C=CC2=CC2=C(O)N=C(O)N=C21	standard non polar	2025-10-23	1860.72
Gas Chromatography	Factor Fo_TMS_23	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O)C(CN1C2=CC(=O)C=CC2=CC2=C(O)N=C(O)N=C21)O[Si](C)(C)C	standard non polar	2025-10-23	1442.7
Gas Chromatography	Factor Fo_TMS_24	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O)C(O)CN1C2=CC(=O)C=CC2=CC2=C(O[Si](C)(C)C)N=C(O)N=C21	standard non polar	2025-10-23	2610.65
Gas Chromatography	Factor Fo_TMS_25	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O)C(O)CN1C2=CC(=O)C=CC2=CC2=C(O)N=C(O[Si](C)(C)C)N=C21	standard non polar	2025-10-23	2308.83
Gas Chromatography	Factor Fo_TMS_26	C[Si](C)(C)OCC(O)C(O[Si](C)(C)C)C(CN1C2=CC(=O)C=CC2=CC2=C(O)N=C(O)N=C21)O[Si](C)(C)C	standard non polar	2025-10-23	2457.32
Gas Chromatography	Factor Fo_TMS_27	C[Si](C)(C)OCC(O)C(O[Si](C)(C)C)C(O)CN1C2=CC(=O)C=CC2=CC2=C(O[Si](C)(C)C)N=C(O)N=C21	standard non polar	2025-10-23	1448.16
Gas Chromatography	Factor Fo_TMS_28	C[Si](C)(C)OCC(O)C(O[Si](C)(C)C)C(O)CN1C2=CC(=O)C=CC2=CC2=C(O)N=C(O[Si](C)(C)C)N=C21	standard non polar	2025-10-23	1796.41
Gas Chromatography	Factor Fo_TMS_29	C[Si](C)(C)OCC(O)C(O)C(CN1C2=CC(=O)C=CC2=CC2=C(O[Si](C)(C)C)N=C(O)N=C21)O[Si](C)(C)C	standard non polar	2025-10-23	1615.03
Gas Chromatography	Factor Fo_TMS_30	C[Si](C)(C)OCC(O)C(O)C(CN1C2=CC(=O)C=CC2=CC2=C(O)N=C(O[Si](C)(C)C)N=C21)O[Si](C)(C)C	standard non polar	2025-10-23	1603.9
Gas Chromatography	Factor Fo_TMS_31	C[Si](C)(C)OCC(O)C(O)C(O)CN1C2=CC(=O)C=CC2=CC2=C(O[Si](C)(C)C)N=C(O[Si](C)(C)C)N=C21	standard non polar	2025-10-23	2132.45
Gas Chromatography	Factor Fo_TMS_32	C[Si](C)(C)OC(CO)C(O[Si](C)(C)C)C(CN1C2=CC(=O)C=CC2=CC2=C(O)N=C(O)N=C21)O[Si](C)(C)C	standard non polar	2025-10-23	2645.87
Gas Chromatography	Factor Fo_TMS_33	C[Si](C)(C)OC1=NC(O)=NC2=C1C=C1C=CC(=O)C=C1N2CC(O)C(O[Si](C)(C)C)C(CO)O[Si](C)(C)C	standard non polar	2025-10-23	2908.43
Gas Chromatography	Factor Fo_TMS_34	C[Si](C)(C)OC1=NC(O)=C2C=C3C=CC(=O)C=C3N(CC(O)C(O[Si](C)(C)C)C(CO)O[Si](C)(C)C)C2=N1	standard non polar	2025-10-23	845.791
Gas Chromatography	Factor Fo_TMS_35	C[Si](C)(C)OC1=NC(O)=NC2=C1C=C1C=CC(=O)C=C1N2CC(O[Si](C)(C)C)C(O)C(CO)O[Si](C)(C)C	standard non polar	2025-10-23	2461.27
Gas Chromatography	Factor Fo_TMS_36	C[Si](C)(C)OC1=NC(O)=C2C=C3C=CC(=O)C=C3N(CC(O[Si](C)(C)C)C(O)C(CO)O[Si](C)(C)C)C2=N1	standard non polar	2025-10-23	1279.15
Gas Chromatography	Factor Fo_TMS_37	C[Si](C)(C)OC1=NC(O[Si](C)(C)C)=C2C=C3C=CC(=O)C=C3N(CC(O)C(O)C(CO)O[Si](C)(C)C)C2=N1	standard non polar	2025-10-23	1479.8
Gas Chromatography	Factor Fo_TMS_38	C[Si](C)(C)OC1=NC(O)=NC2=C1C=C1C=CC(=O)C=C1N2CC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)CO	standard non polar	2025-10-23	2196.57
Gas Chromatography	Factor Fo_TMS_39	C[Si](C)(C)OC1=NC(O)=C2C=C3C=CC(=O)C=C3N(CC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)CO)C2=N1	standard non polar	2025-10-23	1874.21
Gas Chromatography	Factor Fo_TMS_40	C[Si](C)(C)OC1=NC(O[Si](C)(C)C)=C2C=C3C=CC(=O)C=C3N(CC(O)C(O[Si](C)(C)C)C(O)CO)C2=N1	standard non polar	2025-10-23	2408.56
Gas Chromatography	Factor Fo_TMS_41	C[Si](C)(C)OC1=NC(O[Si](C)(C)C)=C2C=C3C=CC(=O)C=C3N(CC(O[Si](C)(C)C)C(O)C(O)CO)C2=N1	standard non polar	2025-10-23	1967.71
Gas Chromatography	Factor Fo_TMS_42	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(CN1C2=CC(=O)C=CC2=CC2=C(O)N=C(O)N=C21)O[Si](C)(C)C	standard non polar	2025-10-23	3456.39
Gas Chromatography	Factor Fo_TMS_43	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)CN1C2=CC(=O)C=CC2=CC2=C(O[Si](C)(C)C)N=C(O)N=C21	standard non polar	2025-10-23	1706.18
Gas Chromatography	Factor Fo_TMS_44	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)CN1C2=CC(=O)C=CC2=CC2=C(O)N=C(O[Si](C)(C)C)N=C21	standard non polar	2025-10-23	1901.61
Gas Chromatography	Factor Fo_TMS_45	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O)C(CN1C2=CC(=O)C=CC2=CC2=C(O[Si](C)(C)C)N=C(O)N=C21)O[Si](C)(C)C	standard non polar	2025-10-23	1183.57
Gas Chromatography	Factor Fo_TMS_46	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O)C(CN1C2=CC(=O)C=CC2=CC2=C(O)N=C(O[Si](C)(C)C)N=C21)O[Si](C)(C)C	standard non polar	2025-10-23	2684.8
Gas Chromatography	Factor Fo_TMS_47	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O)C(O)CN1C2=CC(=O)C=CC2=CC2=C(O[Si](C)(C)C)N=C(O[Si](C)(C)C)N=C21	standard non polar	2025-10-23	2179.71
Gas Chromatography	Factor Fo_TMS_48	C[Si](C)(C)OCC(O)C(O[Si](C)(C)C)C(CN1C2=CC(=O)C=CC2=CC2=C(O[Si](C)(C)C)N=C(O)N=C21)O[Si](C)(C)C	standard non polar	2025-10-23	2324.13
Gas Chromatography	Factor Fo_TMS_49	C[Si](C)(C)OCC(O)C(O[Si](C)(C)C)C(CN1C2=CC(=O)C=CC2=CC2=C(O)N=C(O[Si](C)(C)C)N=C21)O[Si](C)(C)C	standard non polar	2025-10-23	2684.63
Gas Chromatography	Factor Fo_TMS_50	C[Si](C)(C)OCC(O)C(O[Si](C)(C)C)C(O)CN1C2=CC(=O)C=CC2=CC2=C(O[Si](C)(C)C)N=C(O[Si](C)(C)C)N=C21	standard non polar	2025-10-23	2121.19
Gas Chromatography	Factor Fo_TMS_51	C[Si](C)(C)OCC(O)C(O)C(CN1C2=CC(=O)C=CC2=CC2=C(O[Si](C)(C)C)N=C(O[Si](C)(C)C)N=C21)O[Si](C)(C)C	standard non polar	2025-10-23	2787.45
Gas Chromatography	Factor Fo_TMS_52	C[Si](C)(C)OC1=NC(O)=NC2=C1C=C1C=CC(=O)C=C1N2CC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(CO)O[Si](C)(C)C	standard non polar	2025-10-23	1613.05
Gas Chromatography	Factor Fo_TMS_53	C[Si](C)(C)OC1=NC(O)=C2C=C3C=CC(=O)C=C3N(CC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(CO)O[Si](C)(C)C)C2=N1	standard non polar	2025-10-23	2011.89
Gas Chromatography	Factor Fo_TMS_54	C[Si](C)(C)OC1=NC(O[Si](C)(C)C)=C2C=C3C=CC(=O)C=C3N(CC(O)C(O[Si](C)(C)C)C(CO)O[Si](C)(C)C)C2=N1	standard non polar	2025-10-23	2020.9
Gas Chromatography	Factor Fo_TMS_55	C[Si](C)(C)OC1=NC(O[Si](C)(C)C)=C2C=C3C=CC(=O)C=C3N(CC(O[Si](C)(C)C)C(O)C(CO)O[Si](C)(C)C)C2=N1	standard non polar	2025-10-23	1736.53
Gas Chromatography	Factor Fo_TMS_56	C[Si](C)(C)OC1=NC(O[Si](C)(C)C)=C2C=C3C=CC(=O)C=C3N(CC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)CO)C2=N1	standard non polar	2025-10-23	1721.62
Gas Chromatography	Factor Fo_TMS_57	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(CN1C2=CC(=O)C=CC2=CC2=C(O[Si](C)(C)C)N=C(O)N=C21)O[Si](C)(C)C	standard non polar	2025-10-23	769.481
Gas Chromatography	Factor Fo_TMS_58	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(CN1C2=CC(=O)C=CC2=CC2=C(O)N=C(O[Si](C)(C)C)N=C21)O[Si](C)(C)C	standard non polar	2025-10-23	1621.61
Gas Chromatography	Factor Fo_TMS_59	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)CN1C2=CC(=O)C=CC2=CC2=C(O[Si](C)(C)C)N=C(O[Si](C)(C)C)N=C21	standard non polar	2025-10-23	1868.87
Gas Chromatography	Factor Fo_TMS_60	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O)C(CN1C2=CC(=O)C=CC2=CC2=C(O[Si](C)(C)C)N=C(O[Si](C)(C)C)N=C21)O[Si](C)(C)C	standard non polar	2025-10-23	1789.73
Gas Chromatography	Factor Fo_TMS_61	C[Si](C)(C)OCC(O)C(O[Si](C)(C)C)C(CN1C2=CC(=O)C=CC2=CC2=C(O[Si](C)(C)C)N=C(O[Si](C)(C)C)N=C21)O[Si](C)(C)C	standard non polar	2025-10-23	2326.48
Gas Chromatography	Factor Fo_TMS_62	C[Si](C)(C)OC1=NC(O[Si](C)(C)C)=C2C=C3C=CC(=O)C=C3N(CC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(CO)O[Si](C)(C)C)C2=N1	standard non polar	2025-10-23	2685.48
Gas Chromatography	Factor Fo_TMS_63	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(CN1C2=CC(=O)C=CC2=CC2=C(O[Si](C)(C)C)N=C(O[Si](C)(C)C)N=C21)O[Si](C)(C)C	standard non polar	2025-10-23	2440.76
Gas Chromatography	Factor Fo_TMS_1	C[Si](C)(C)OCC(O)C(O)C(O)CN1C2=CC(=O)C=CC2=CC2=C(O)N=C(O)N=C21	standard polar	2025-10-23	2575.81
Gas Chromatography	Factor Fo_TMS_2	C[Si](C)(C)OC(CO)C(O)C(O)CN1C2=CC(=O)C=CC2=CC2=C(O)N=C(O)N=C21	standard polar	2025-10-23	2599.05
Gas Chromatography	Factor Fo_TMS_3	C[Si](C)(C)OC(C(O)CO)C(O)CN1C2=CC(=O)C=CC2=CC2=C(O)N=C(O)N=C21	standard polar	2025-10-23	1900.44
Gas Chromatography	Factor Fo_TMS_4	C[Si](C)(C)OC(CN1C2=CC(=O)C=CC2=CC2=C(O)N=C(O)N=C21)C(O)C(O)CO	standard polar	2025-10-23	2187.36
Gas Chromatography	Factor Fo_TMS_5	C[Si](C)(C)OC1=NC(O)=C2C=C3C=CC(=O)C=C3N(CC(O)C(O)C(O)CO)C2=N1	standard polar	2025-10-23	1674.22
Gas Chromatography	Factor Fo_TMS_6	C[Si](C)(C)OC1=NC(O)=NC2=C1C=C1C=CC(=O)C=C1N2CC(O)C(O)C(O)CO	standard polar	2025-10-23	1924.62
Gas Chromatography	Factor Fo_TMS_7	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O)C(O)CN1C2=CC(=O)C=CC2=CC2=C(O)N=C(O)N=C21	standard polar	2025-10-23	1894.74
Gas Chromatography	Factor Fo_TMS_8	C[Si](C)(C)OCC(O)C(O[Si](C)(C)C)C(O)CN1C2=CC(=O)C=CC2=CC2=C(O)N=C(O)N=C21	standard polar	2025-10-23	2563.88
Gas Chromatography	Factor Fo_TMS_9	C[Si](C)(C)OCC(O)C(O)C(CN1C2=CC(=O)C=CC2=CC2=C(O)N=C(O)N=C21)O[Si](C)(C)C	standard polar	2025-10-23	2612.64
Gas Chromatography	Factor Fo_TMS_10	C[Si](C)(C)OCC(O)C(O)C(O)CN1C2=CC(=O)C=CC2=CC2=C(O[Si](C)(C)C)N=C(O)N=C21	standard polar	2025-10-23	3224.93
Gas Chromatography	Factor Fo_TMS_11	C[Si](C)(C)OCC(O)C(O)C(O)CN1C2=CC(=O)C=CC2=CC2=C(O)N=C(O[Si](C)(C)C)N=C21	standard polar	2025-10-23	2349.84
Gas Chromatography	Factor Fo_TMS_12	C[Si](C)(C)OC(CO)C(O[Si](C)(C)C)C(O)CN1C2=CC(=O)C=CC2=CC2=C(O)N=C(O)N=C21	standard polar	2025-10-23	2255.61
Gas Chromatography	Factor Fo_TMS_13	C[Si](C)(C)OC(CO)C(O)C(CN1C2=CC(=O)C=CC2=CC2=C(O)N=C(O)N=C21)O[Si](C)(C)C	standard polar	2025-10-23	2594.75
Gas Chromatography	Factor Fo_TMS_14	C[Si](C)(C)OC1=NC(O)=NC2=C1C=C1C=CC(=O)C=C1N2CC(O)C(O)C(CO)O[Si](C)(C)C	standard polar	2025-10-23	1362.47
Gas Chromatography	Factor Fo_TMS_15	C[Si](C)(C)OC1=NC(O)=C2C=C3C=CC(=O)C=C3N(CC(O)C(O)C(CO)O[Si](C)(C)C)C2=N1	standard polar	2025-10-23	1814.39
Gas Chromatography	Factor Fo_TMS_16	C[Si](C)(C)OC(CN1C2=CC(=O)C=CC2=CC2=C(O)N=C(O)N=C21)C(O[Si](C)(C)C)C(O)CO	standard polar	2025-10-23	2516.03
Gas Chromatography	Factor Fo_TMS_17	C[Si](C)(C)OC1=NC(O)=NC2=C1C=C1C=CC(=O)C=C1N2CC(O)C(O[Si](C)(C)C)C(O)CO	standard polar	2025-10-23	2315.81
Gas Chromatography	Factor Fo_TMS_18	C[Si](C)(C)OC1=NC(O)=C2C=C3C=CC(=O)C=C3N(CC(O)C(O[Si](C)(C)C)C(O)CO)C2=N1	standard polar	2025-10-23	905.24
Gas Chromatography	Factor Fo_TMS_19	C[Si](C)(C)OC1=NC(O)=NC2=C1C=C1C=CC(=O)C=C1N2CC(O[Si](C)(C)C)C(O)C(O)CO	standard polar	2025-10-23	2126.98
Gas Chromatography	Factor Fo_TMS_20	C[Si](C)(C)OC1=NC(O)=C2C=C3C=CC(=O)C=C3N(CC(O[Si](C)(C)C)C(O)C(O)CO)C2=N1	standard polar	2025-10-23	2319.62
Gas Chromatography	Factor Fo_TMS_21	C[Si](C)(C)OC1=NC(O[Si](C)(C)C)=C2C=C3C=CC(=O)C=C3N(CC(O)C(O)C(O)CO)C2=N1	standard polar	2025-10-23	2418.05
Gas Chromatography	Factor Fo_TMS_22	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)CN1C2=CC(=O)C=CC2=CC2=C(O)N=C(O)N=C21	standard polar	2025-10-23	1480.26
Gas Chromatography	Factor Fo_TMS_23	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O)C(CN1C2=CC(=O)C=CC2=CC2=C(O)N=C(O)N=C21)O[Si](C)(C)C	standard polar	2025-10-23	1636.36
Gas Chromatography	Factor Fo_TMS_24	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O)C(O)CN1C2=CC(=O)C=CC2=CC2=C(O[Si](C)(C)C)N=C(O)N=C21	standard polar	2025-10-23	2301.07
Gas Chromatography	Factor Fo_TMS_25	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O)C(O)CN1C2=CC(=O)C=CC2=CC2=C(O)N=C(O[Si](C)(C)C)N=C21	standard polar	2025-10-23	1196.41
Gas Chromatography	Factor Fo_TMS_26	C[Si](C)(C)OCC(O)C(O[Si](C)(C)C)C(CN1C2=CC(=O)C=CC2=CC2=C(O)N=C(O)N=C21)O[Si](C)(C)C	standard polar	2025-10-23	1650.16
Gas Chromatography	Factor Fo_TMS_27	C[Si](C)(C)OCC(O)C(O[Si](C)(C)C)C(O)CN1C2=CC(=O)C=CC2=CC2=C(O[Si](C)(C)C)N=C(O)N=C21	standard polar	2025-10-23	37.4965
Gas Chromatography	Factor Fo_TMS_28	C[Si](C)(C)OCC(O)C(O[Si](C)(C)C)C(O)CN1C2=CC(=O)C=CC2=CC2=C(O)N=C(O[Si](C)(C)C)N=C21	standard polar	2025-10-23	2394.76
Gas Chromatography	Factor Fo_TMS_29	C[Si](C)(C)OCC(O)C(O)C(CN1C2=CC(=O)C=CC2=CC2=C(O[Si](C)(C)C)N=C(O)N=C21)O[Si](C)(C)C	standard polar	2025-10-23	2244.61
Gas Chromatography	Factor Fo_TMS_30	C[Si](C)(C)OCC(O)C(O)C(CN1C2=CC(=O)C=CC2=CC2=C(O)N=C(O[Si](C)(C)C)N=C21)O[Si](C)(C)C	standard polar	2025-10-23	1894.61
Gas Chromatography	Factor Fo_TMS_31	C[Si](C)(C)OCC(O)C(O)C(O)CN1C2=CC(=O)C=CC2=CC2=C(O[Si](C)(C)C)N=C(O[Si](C)(C)C)N=C21	standard polar	2025-10-23	1375.11
Gas Chromatography	Factor Fo_TMS_32	C[Si](C)(C)OC(CO)C(O[Si](C)(C)C)C(CN1C2=CC(=O)C=CC2=CC2=C(O)N=C(O)N=C21)O[Si](C)(C)C	standard polar	2025-10-23	1742.51
Gas Chromatography	Factor Fo_TMS_33	C[Si](C)(C)OC1=NC(O)=NC2=C1C=C1C=CC(=O)C=C1N2CC(O)C(O[Si](C)(C)C)C(CO)O[Si](C)(C)C	standard polar	2025-10-23	2912.96
Gas Chromatography	Factor Fo_TMS_34	C[Si](C)(C)OC1=NC(O)=C2C=C3C=CC(=O)C=C3N(CC(O)C(O[Si](C)(C)C)C(CO)O[Si](C)(C)C)C2=N1	standard polar	2025-10-23	1674.01
Gas Chromatography	Factor Fo_TMS_35	C[Si](C)(C)OC1=NC(O)=NC2=C1C=C1C=CC(=O)C=C1N2CC(O[Si](C)(C)C)C(O)C(CO)O[Si](C)(C)C	standard polar	2025-10-23	2631.17
Gas Chromatography	Factor Fo_TMS_36	C[Si](C)(C)OC1=NC(O)=C2C=C3C=CC(=O)C=C3N(CC(O[Si](C)(C)C)C(O)C(CO)O[Si](C)(C)C)C2=N1	standard polar	2025-10-23	1666.65
Gas Chromatography	Factor Fo_TMS_37	C[Si](C)(C)OC1=NC(O[Si](C)(C)C)=C2C=C3C=CC(=O)C=C3N(CC(O)C(O)C(CO)O[Si](C)(C)C)C2=N1	standard polar	2025-10-23	1183.13
Gas Chromatography	Factor Fo_TMS_38	C[Si](C)(C)OC1=NC(O)=NC2=C1C=C1C=CC(=O)C=C1N2CC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)CO	standard polar	2025-10-23	2572.38
Gas Chromatography	Factor Fo_TMS_39	C[Si](C)(C)OC1=NC(O)=C2C=C3C=CC(=O)C=C3N(CC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)CO)C2=N1	standard polar	2025-10-23	1058.74
Gas Chromatography	Factor Fo_TMS_40	C[Si](C)(C)OC1=NC(O[Si](C)(C)C)=C2C=C3C=CC(=O)C=C3N(CC(O)C(O[Si](C)(C)C)C(O)CO)C2=N1	standard polar	2025-10-23	1921.7
Gas Chromatography	Factor Fo_TMS_41	C[Si](C)(C)OC1=NC(O[Si](C)(C)C)=C2C=C3C=CC(=O)C=C3N(CC(O[Si](C)(C)C)C(O)C(O)CO)C2=N1	standard polar	2025-10-23	2159.91
Gas Chromatography	Factor Fo_TMS_42	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(CN1C2=CC(=O)C=CC2=CC2=C(O)N=C(O)N=C21)O[Si](C)(C)C	standard polar	2025-10-23	1288.27
Gas Chromatography	Factor Fo_TMS_43	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)CN1C2=CC(=O)C=CC2=CC2=C(O[Si](C)(C)C)N=C(O)N=C21	standard polar	2025-10-23	903.596
Gas Chromatography	Factor Fo_TMS_44	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)CN1C2=CC(=O)C=CC2=CC2=C(O)N=C(O[Si](C)(C)C)N=C21	standard polar	2025-10-23	1246.92
Gas Chromatography	Factor Fo_TMS_45	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O)C(CN1C2=CC(=O)C=CC2=CC2=C(O[Si](C)(C)C)N=C(O)N=C21)O[Si](C)(C)C	standard polar	2025-10-23	2763.28
Gas Chromatography	Factor Fo_TMS_46	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O)C(CN1C2=CC(=O)C=CC2=CC2=C(O)N=C(O[Si](C)(C)C)N=C21)O[Si](C)(C)C	standard polar	2025-10-23	2148.24
Gas Chromatography	Factor Fo_TMS_47	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O)C(O)CN1C2=CC(=O)C=CC2=CC2=C(O[Si](C)(C)C)N=C(O[Si](C)(C)C)N=C21	standard polar	2025-10-23	1746.25
Gas Chromatography	Factor Fo_TMS_48	C[Si](C)(C)OCC(O)C(O[Si](C)(C)C)C(CN1C2=CC(=O)C=CC2=CC2=C(O[Si](C)(C)C)N=C(O)N=C21)O[Si](C)(C)C	standard polar	2025-10-23	758.873
Gas Chromatography	Factor Fo_TMS_49	C[Si](C)(C)OCC(O)C(O[Si](C)(C)C)C(CN1C2=CC(=O)C=CC2=CC2=C(O)N=C(O[Si](C)(C)C)N=C21)O[Si](C)(C)C	standard polar	2025-10-23	3198.94
Gas Chromatography	Factor Fo_TMS_50	C[Si](C)(C)OCC(O)C(O[Si](C)(C)C)C(O)CN1C2=CC(=O)C=CC2=CC2=C(O[Si](C)(C)C)N=C(O[Si](C)(C)C)N=C21	standard polar	2025-10-23	2182.85
Gas Chromatography	Factor Fo_TMS_51	C[Si](C)(C)OCC(O)C(O)C(CN1C2=CC(=O)C=CC2=CC2=C(O[Si](C)(C)C)N=C(O[Si](C)(C)C)N=C21)O[Si](C)(C)C	standard polar	2025-10-23	2023.52
Gas Chromatography	Factor Fo_TMS_52	C[Si](C)(C)OC1=NC(O)=NC2=C1C=C1C=CC(=O)C=C1N2CC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(CO)O[Si](C)(C)C	standard polar	2025-10-23	2938.72
Gas Chromatography	Factor Fo_TMS_53	C[Si](C)(C)OC1=NC(O)=C2C=C3C=CC(=O)C=C3N(CC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(CO)O[Si](C)(C)C)C2=N1	standard polar	2025-10-23	2250.72
Gas Chromatography	Factor Fo_TMS_54	C[Si](C)(C)OC1=NC(O[Si](C)(C)C)=C2C=C3C=CC(=O)C=C3N(CC(O)C(O[Si](C)(C)C)C(CO)O[Si](C)(C)C)C2=N1	standard polar	2025-10-23	2195.17
Gas Chromatography	Factor Fo_TMS_55	C[Si](C)(C)OC1=NC(O[Si](C)(C)C)=C2C=C3C=CC(=O)C=C3N(CC(O[Si](C)(C)C)C(O)C(CO)O[Si](C)(C)C)C2=N1	standard polar	2025-10-23	2907.37
Gas Chromatography	Factor Fo_TMS_56	C[Si](C)(C)OC1=NC(O[Si](C)(C)C)=C2C=C3C=CC(=O)C=C3N(CC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)CO)C2=N1	standard polar	2025-10-23	2276.79
Gas Chromatography	Factor Fo_TMS_57	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(CN1C2=CC(=O)C=CC2=CC2=C(O[Si](C)(C)C)N=C(O)N=C21)O[Si](C)(C)C	standard polar	2025-10-23	1261.99
Gas Chromatography	Factor Fo_TMS_58	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(CN1C2=CC(=O)C=CC2=CC2=C(O)N=C(O[Si](C)(C)C)N=C21)O[Si](C)(C)C	standard polar	2025-10-23	2117.66
Gas Chromatography	Factor Fo_TMS_59	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)CN1C2=CC(=O)C=CC2=CC2=C(O[Si](C)(C)C)N=C(O[Si](C)(C)C)N=C21	standard polar	2025-10-23	1908.45
Gas Chromatography	Factor Fo_TMS_60	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O)C(CN1C2=CC(=O)C=CC2=CC2=C(O[Si](C)(C)C)N=C(O[Si](C)(C)C)N=C21)O[Si](C)(C)C	standard polar	2025-10-23	2644.63
Gas Chromatography	Factor Fo_TMS_61	C[Si](C)(C)OCC(O)C(O[Si](C)(C)C)C(CN1C2=CC(=O)C=CC2=CC2=C(O[Si](C)(C)C)N=C(O[Si](C)(C)C)N=C21)O[Si](C)(C)C	standard polar	2025-10-23	894.179
Gas Chromatography	Factor Fo_TMS_62	C[Si](C)(C)OC1=NC(O[Si](C)(C)C)=C2C=C3C=CC(=O)C=C3N(CC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(CO)O[Si](C)(C)C)C2=N1	standard polar	2025-10-23	2072.28
Gas Chromatography	Factor Fo_TMS_63	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(CN1C2=CC(=O)C=CC2=CC2=C(O[Si](C)(C)C)N=C(O[Si](C)(C)C)N=C21)O[Si](C)(C)C	standard polar	2025-10-23	1301.65

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Not Available

Tissue Locations

Not Available

Associated OMIM IDs

114500 (Colorectal cancer)
610247 (Eosinophilic esophagitis)

Human Proteins and Enzymes

Protein ID	Protein Name	Protein Type	Uniprot ID	Species

Human Pathways

Pathways

Name	SMPDB/PathBank

Microbial Pathways

Pathways

Not Available

Metabolic Reactions

Reactions

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

See All Associated Reactions

Reaction ID	Precursor	Product	Enzyme	Reaction Type	Data Source	Reference

Health Effects and Bioactivity

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

Microbial Sources

Superkingdom/Kingdom	Phylum	Total species	Hosts and Body Sites	Microbial Links
Archaea	Euryarchaeota	1		Metabolic reconstruction

Exposure Sources

Other Exposures

Source Type	Data Source	Reference

Host Biospecimen and Location

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

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

108884

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

122079

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

CMMC Knowledgebase

Not Available

General References

van Santen JA, Poynton EF, Iskakova D, McMann E, Alsup TA, Clark TN, Fergusson CH, Fewer DP, Hughes AH, McCadden CA, Parra J, Soldatou S, Rudolf JD, Janssen EM, Duncan KR, Linington RG: The Natural Products Atlas 2.0: a database of microbially-derived natural products. Nucleic Acids Res. 2022 Jan 7;50(D1):D1317-D1323. doi: 10.1093/nar/gkab941. [PubMed:34718710 ]

Showing metabocard for Factor Fo (MMDBc0015934)

MOL for #<Metabolite:0x00005643230c87a0>

3D MOL for #<Metabolite:0x00005643230c87a0>

3D SDF for #<Metabolite:0x00005643230c87a0>

3D-SDF for #<Metabolite:0x00005643230c87a0>

PDB for #<Metabolite:0x00005643230c87a0>

3D PDB for #<Metabolite:0x00005643230c87a0>

SMILES for #<Metabolite:0x00005643230c87a0>

INCHI for #<Metabolite:0x00005643230c87a0>

Structure for #<Metabolite:0x00005643230c87a0>

3D Structure for #<Metabolite:0x00005643230c87a0>