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aflatoxin B1 triol

Properties

Image

Occurences in reactions

MNX_ID

MNXM10359

	#reac
in my sandbox	0
in MNXref (generic)	3
in models (compartimentalized)	3

formula

C₁₇H₁₈O₈

charge

mass

350.10017

reference

InChIKey

OKGOPKLFGPTQFQ-UHFFFAOYSA-N

InChI

InChI=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

SMILES

COc1cc(O)c(C(CO)C(O)CO)c2oc(=O)c3c(c12)CCC3=O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
reactome:R-ALL-5423729 reactomeM:R-ALL-5423729 CHEBI:53108 chebi:53108	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
seed.compound:cpd20844 seedM:cpd20844 CHEBI:82581 chebi:82581 kegg.compound:C19590 keggC:C19590	6-[2,3-Dihydroxy-1-(hydroxymethyl)propyl]-1,2-dihydro-7-hydroxy-9-methoxy-cyclopenta[c][1]benzopyran-3,4-dione
hmdb:HMDB0062427	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	Aflatoxin B1 dialcohol
hmdb:HMDB62427 chebi:78575 keggC:M_C19590 seedM:M_cpd20844	secondary/obsolete/fantasy identifier