CHEBI:78586 - aflatoxin B1 endo-8,9-oxide

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ChEBI Name aflatoxin B1 endo-8,9-oxide
ChEBI ID CHEBI:78586
ChEBI ASCII Name aflatoxin B1 endo-8,9-oxide
Definition A member of the class of aflatoxins that is obtained by the formal epoxidation across the 8,9-double bond of aflatoxin B1.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Bijay
Supplier Information
Download Molfile XML SDF
Formula C17H12O7
Net Charge 0
Average Mass 328.27300
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-NQZOLGFYSA-N
SMILES COc1cc2O[C@H]3O[C@H]4O[C@H]4[C@H]3c2c2oc(=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 B1 endo-8,9-oxide (CHEBI:78586) has functional parent aflatoxin B1 (CHEBI:2504)
aflatoxin B1 endo-8,9-oxide (CHEBI:78586) has role xenobiotic metabolite (CHEBI:76206)
aflatoxin B1 endo-8,9-oxide (CHEBI:78586) is a aflatoxin (CHEBI:22271)
aflatoxin B1 endo-8,9-oxide (CHEBI:78586) is a aromatic ether (CHEBI:35618)
aflatoxin B1 endo-8,9-oxide (CHEBI:78586) is a aromatic ketone (CHEBI:76224)
aflatoxin B1 endo-8,9-oxide (CHEBI:78586) is a cyclic ketal (CHEBI:59779)
aflatoxin B1 endo-8,9-oxide (CHEBI:78586) is a epoxide (CHEBI:32955)
IUPAC Name
(6aS,7aR,8aS,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
aflatoxin B1 endo-8,9-epoxide ChEBI
AFNBO SUBMITTER
Manual Xref Database
C19595 KEGG COMPOUND
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Registry Numbers Types Sources
141899-13-0 CAS Registry Number KEGG COMPOUND
141899-13-0 CAS Registry Number ChemIDplus
6852034 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
7766804 PubMed citation Europe PMC
Last Modified
11 August 2014