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

ChEBI IDCHEBI:30725
ChEBI Nameaflatoxin B1 exo-8,9-epoxide
Stars
ASCII Nameaflatoxin B1 exo-8,9-epoxide
Last Modified28 July 2014
SubmitterMarcus Ennis
DownloadsMolfile

FormulaC17H12O7
Net Charge0
Average Mass328.276
Monoisotopic Mass328.05830
SMILES[H][C@]12O[C@]3([H])Oc4cc(OC)c5c6c(c(=O)oc5c4[C@]3([H])[C@@]1([H])O2)C(=O)CC6
InChIInChI=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
InChIKeyKHBXRZGALJGBPA-IRWJRLHMSA-N

Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - DOI (10.1038/nbt.2488)
Roles Classification

ChEBI Ontology
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  Source
Aflatoxin B1-2,3-oxideChemIDplus
2,3-Epoxyaflatoxin B1ChemIDplus
Aflatoxin B1 2,3-epoxideChemIDplus
Aflatoxin B1 8,9-epoxideChemIDplus
Aflatoxin B1 exo-8,9-oxideChemIDplus
2,3-Epoxyaflatoxin B1KEGG COMPOUND
Manual XrefsDatabases
C19586KEGG COMPOUND
Registry NumbersSources
CAS:42583-46-0ChemIDplus
CAS:42583-46-0KEGG COMPOUND