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CHEBI:82585 - Aflatoxin B1-endo-8,9-epoxide

Default Structure
ChEBI IDCHEBI:82585
ChEBI NameAflatoxin B1-endo-8,9-epoxide
Stars
DownloadsMolfile
FormulaC17H12O7
Net Charge0
Average Mass328.276
Monoisotopic Mass328.05830
SMILES[H][C@@]12Oc3cc(OC)c4c5c(c(=O)oc4c3[C@]1([H])[C@@H]1O[C@@H]1O2)C(=O)CC5
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-NQZOLGFYSA-N
ChEBI Ontology
Outgoing Relation(s)
Aflatoxin B1-endo-8,9-epoxide (CHEBI:82585) is a coumarins (CHEBI:23403)
Manual XrefsDatabases
C19595KEGG COMPOUND
Registry NumbersSources
CAS:141899-13-0KEGG COMPOUND