CHEBI:30725 - aflatoxin B1 exo-8,9-epoxide

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ChEBI Name aflatoxin B1 exo-8,9-epoxide
ChEBI ID CHEBI:30725
ChEBI ASCII Name aflatoxin B1 exo-8,9-epoxide
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C17H12O7
Net Charge 0
Average Mass 328.27298
Monoisotopic Mass 328.05830
InChI InChI=1S/C17H12O7/c1-20-7-4-8-11(12-14-17(23-14)24-16(12)21-8)13-10(7)5-2-3-6(18)9(5)15(19)22-13/h4,12,14,16-17H,2-3H2,1H3/t12-,14-,16+,17+/m1/s1
InChIKey KHBXRZGALJGBPA-IRWJRLHMSA-N
SMILES [H][C@@]12Oc3cc(OC)c4c5CCC(=O)c5c(=O)oc4c3[C@]1([H])[C@@]1([H])O[C@@]1([H])O2
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) See: DOI
Roles Classification
Biological Role(s): human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
mycotoxin
Poisonous substance produced by fungi.
(via aflatoxin )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing aflatoxin B1 exo-8,9-epoxide (CHEBI:30725) has role human metabolite (CHEBI:77746)
aflatoxin B1 exo-8,9-epoxide (CHEBI:30725) is a aflatoxin (CHEBI:22271)
IUPAC Name
(6aS,7aS,8aR,8bR)-4-methoxy-2,3,6a,7a,8a,8b-hexahydrocyclopenta[c]oxireno[4',5']furo[3',2':4,5]furo[2,3-h]chromene-1,10-dione
Synonyms Sources
2,3-Epoxyaflatoxin B1 KEGG COMPOUND
2,3-Epoxyaflatoxin B1 ChemIDplus
Aflatoxin B1 2,3-epoxide ChemIDplus
Aflatoxin B1 8,9-epoxide ChemIDplus
Aflatoxin B1 exo-8,9-oxide ChemIDplus
Aflatoxin B1-2,3-oxide ChemIDplus
Manual Xref Database
C19586 KEGG COMPOUND
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Registry Number Type Source
42583-46-0 CAS Registry Number ChemIDplus
Last Modified
28 July 2014