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aflatoxin B1 triol

PropertiesImage
MNX_IDMNXM10359 Image of MNXM10359
referencechebi:53108
formulaC17H18O8
global charge0
mol weight350.323
InChIKeyOKGOPKLFGPTQFQ-UHFFFAOYSA-N
InChIInChI=1S/C17H18O8/c1-24-12-4-10(21)13(8(5-18)11(22)6-19)16-15(12)7-2-3-9(20)14(7)17(23)25-16/h4,8,11,18-19,21-22H,2-3,5-6H2,1H3
SMILESCOC1=C2C3=C(C(=O)CC3)C(=O)OC2=C(C(CO)C(O)CO)C(O)=C1
MNX internals
InChI (mnx)InChI=1/C17H18O8/c1-24-12-4-10(21)13(8(5-18)11(22)6-19)16-15(12)7-2-3-9(20)14(7)17(23)25-16/h4,8,11,18-19,21-22H,2-3,5-6H2,1H3/t8?,11? Image of MNXM10359
SMILES (mnx)[CH3:1][O:24][C:12]1=[C:15]2[C:7]3=[C:14]([C:9](=[O:20])[CH2:3][CH2:2]3)[C:17](=[O:23])[O:25][C:16]2=[C:13]([CH:8]([CH2:5][OH:18])[CH:11]([CH2:6][OH:19])[OH:22])[C:10]([OH:21])=[CH:4]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)4
in models (compartimentalized) 1
Similar chemical compounds in external resources
IdentifierDescription

reactome:R-ALL-5423729
reactomeM:R-ALL-5423729
CHEBI:53108
chebi:53108
OKGOPKLFGPTQFQ-UHFFFAOYSA-N 		aflatoxin B1 triol
7-hydroxy-9-methoxy-6-(1,3,4-trihydroxybutan-2-yl)-1,2-dihydrocyclopenta[c]chromene-3,4-dione
AFBDOH
aflatoxin B1 trialcohol

vmhM:M01156
vmhmetabolite:M01156
OKGOPKLFGPTQFQ-UHFFFAOYSA-N 		6-[2,3-Dihydroxy-1-(Hydroxymethyl)Propyl]-1,2-Dihydro-7-Hydroxy-9-Methoxy-Cyclopenta[C][1]Benzopyran-3,4-Dione
7-hydroxy-9-methoxy-6-(1,3,4-trihydroxybutan-2-yl)-1H,2H,3H,4H-cyclopenta[c]chromene-3,4-dione

seed.compound:cpd20844
seedM:cpd20844
CHEBI:82581
chebi:82581
kegg.compound:C19590
keggC:C19590
OKGOPKLFGPTQFQ-UHFFFAOYSA-N 		6-[2,3-Dihydroxy-1-(hydroxymethyl)propyl]-1,2-dihydro-7-hydroxy-9-methoxy-cyclopenta[c][1]benzopyran-3,4-dione
hmdb:HMDB0062427
OKGOPKLFGPTQFQ-UHFFFAOYSA-N 		6-[2,3-Dihydroxy-1-(hydroxymethyl)propyl]-1,2-dihydro-7-hydroxy-9-methoxy-cyclopenta[c][1]benzopyran-3,4-dione
7-hydroxy-9-methoxy-6-(1,3,4-trihydroxybutan-2-yl)-1H,2H,3H,4H-cyclopenta[c]chromene-3,4-dione
7-hydroxy-9-methoxy-6-(1,3,4-trihydroxybutan-2-yl)-1H,2H-cyclopenta[c]chromene-3,4-dione
AFBDOH
Aflatoxin b1 trialcohol

sabiork.compound:27377
sabiorkM:27377
OKGOPKLFGPTQFQ-UHFFFAOYSA-N 		Aflatoxin B1 dialcohol

hmdb:HMDB62427
chebi:78575
keggC:M_C19590
seedM:M_cpd20844
vmhM:M_M01156 		secondary/obsolete/fantasy identifier