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CHEBI:82580 - Aflatoxin B1 diol

ChEBI IDCHEBI:82580
ChEBI NameAflatoxin B1 diol
Stars
DownloadsMolfile
FormulaC17H14O8
Net Charge0
Average Mass346.291
Monoisotopic Mass346.06887
SMILES[H][C@@]12Oc3cc(OC)c4c5c(c(=O)oc4c3[C@]1([H])[C@@H](O)[C@H](O)O2)C(=O)CC5
InChIInChI=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
InChIKeyJRZBEIPOZPNWID-KFZJALRRSA-N
ChEBI Ontology
Outgoing Relation(s)
Aflatoxin B1 diol (CHEBI:82580) is a coumarins (CHEBI:23403)
Synonym  Source
Aflatoxin B1-2,3-dihydrodiolKEGG COMPOUND
Manual XrefsDatabases
C19588KEGG COMPOUND
HMDB0060430HMDB
Registry NumbersSources
CAS:50668-79-6KEGG COMPOUND