EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:53108 - aflatoxin B1 triol

ChEBI IDCHEBI:53108
ChEBI Nameaflatoxin B1 triol
Stars
ASCII Nameaflatoxin B1 triol
DefinitionAn organic heterotricyclic compound obtained by oxidative cleavage of the furofuran ring system of aflatoxin B1.
Secondary ChEBI IDCHEBI:78575
Last Modified25 February 2025
SubmitterBijay, Kristian Axelsen
DownloadsMolfile
FormulaC17H18O8
Net Charge0
Average Mass350.323
Monoisotopic Mass350.10017
SMILESCOc1cc(O)c(C(CO)C(O)CO)c2oc(=O)c3c(c12)CCC3=O
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
InChIKeyOKGOPKLFGPTQFQ-UHFFFAOYSA-N
Roles Classification
Biological Role:
xenobiotic metabolite  Any metabolite produced by metabolism of a xenobiotic compound.
ChEBI Ontology
Outgoing Relation(s)
aflatoxin B1 triol (CHEBI:53108) has functional parent aflatoxin B1 (CHEBI:2504)
aflatoxin B1 triol (CHEBI:53108) has role xenobiotic metabolite (CHEBI:76206)
aflatoxin B1 triol (CHEBI:53108) is a aromatic ether (CHEBI:35618)
aflatoxin B1 triol (CHEBI:53108) is a aromatic ketone (CHEBI:76224)
aflatoxin B1 triol (CHEBI:53108) is a organic heterotricyclic compound (CHEBI:26979)
aflatoxin B1 triol (CHEBI:53108) is a phenols (CHEBI:33853)
aflatoxin B1 triol (CHEBI:53108) is a triol (CHEBI:27136)
IUPAC Name 
7-hydroxy-9-methoxy-6-(1,3,4-trihydroxybutan-2-yl)-1,2-dihydrocyclopenta[c]chromene-3,4-dione
Synonyms  Source
aflatoxin B1 trialcoholChEBI
AFBDOHSUBMITTER
UniProt Name  Source
aflatoxin B1 triolUniProt
Citations