CHEBI:78577 - aflatoxin M1 8,9-epoxide

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ChEBI Name aflatoxin M1 8,9-epoxide
ChEBI ID CHEBI:78577
ChEBI ASCII Name aflatoxin M1 8,9-epoxide
Definition A member of the class of aflatoxins that is obtained by the formal epoxidation across the 8,9-double bond of aflatoxin M1.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Bijay
Supplier Information
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Formula C17H12O8
Net Charge 0
Average Mass 344.27240
Monoisotopic Mass 344.05322
InChI InChI=1S/C17H12O8/c1-21-7-4-8-11(17(20)13-15(24-13)25-16(17)22-8)12-10(7)5-2-3-6(18)9(5)14(19)23-12/h4,13,15-16,20H,2-3H2,1H3/t13-,15-,16-,17-/m0/s1
InChIKey XRWIIRKFSUFIPZ-HJWJTTGWSA-N
SMILES COc1cc2O[C@H]3O[C@@H]4O[C@@H]4[C@@]3(O)c2c2oc(=O)c3C(=O)CCc3c12
Roles Classification
Biological Role(s): xenobiotic metabolite
Any metabolite produced by metabolism of a xenobiotic compound.
mycotoxin
Poisonous substance produced by fungi.
(via aflatoxin )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing aflatoxin M1 8,9-epoxide (CHEBI:78577) has functional parent aflatoxin M1 (CHEBI:78576)
aflatoxin M1 8,9-epoxide (CHEBI:78577) has role xenobiotic metabolite (CHEBI:76206)
aflatoxin M1 8,9-epoxide (CHEBI:78577) is a aflatoxin (CHEBI:22271)
aflatoxin M1 8,9-epoxide (CHEBI:78577) is a aromatic ether (CHEBI:35618)
aflatoxin M1 8,9-epoxide (CHEBI:78577) is a aromatic ketone (CHEBI:76224)
aflatoxin M1 8,9-epoxide (CHEBI:78577) is a cyclic ketal (CHEBI:59779)
aflatoxin M1 8,9-epoxide (CHEBI:78577) is a epoxide (CHEBI:32955)
aflatoxin M1 8,9-epoxide (CHEBI:78577) is a tertiary alcohol (CHEBI:26878)
IUPAC Name
(6aS,7aS,8aR,8bS)-8b-hydroxy-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
Aflatoxin-M1-8,9-epoxide KEGG COMPOUND
AFM1E SUBMITTER
Manual Xref Database
C19594 KEGG COMPOUND
View more database links
Registry Number Type Source
161596-64-1 CAS Registry Number KEGG COMPOUND
Last Modified
11 August 2014