CHEBI:82580 - Aflatoxin B1 diol

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Aflatoxin B1 diol
ChEBI ID CHEBI:82580
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C17H14O8
Net Charge 0
Average Mass 346.28830
Monoisotopic Mass 346.06887
InChI InChI=1S/C17H14O8/c1-22-7-4-8-11(12-13(19)16(21)25-17(12)23-8)14-10(7)5-2-3-6(18)9(5)15(20)24-14/h4,12-13,16-17,19,21H,2-3H2,1H3/t12-,13-,16-,17+/m1/s1
InChIKey JRZBEIPOZPNWID-KFZJALRRSA-N
SMILES COc1cc2O[C@H]3O[C@@H](O)[C@H](O)[C@H]3c2c2oc(=O)c3C(=O)CCc3c12
ChEBI Ontology
Outgoing Aflatoxin B1 diol (CHEBI:82580) is a coumarins (CHEBI:23403)
Synonym Source
Aflatoxin B1-2,3-dihydrodiol KEGG COMPOUND
Manual Xrefs Databases
C19588 KEGG COMPOUND
HMDB0060430 HMDB
View more database links
Registry Number Type Source
50668-79-6 CAS Registry Number KEGG COMPOUND