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CHEBI:174455 - Aflatoxin B2a

ChEBI IDCHEBI:174455
ChEBI NameAflatoxin B2a
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SubmitterMetaboLights
DownloadsMolfile
FormulaC17H14O7
Net Charge0
Average Mass330.292
Monoisotopic Mass330.07395
SMILES[H][C@@]12Oc3cc(OC)c4c5c(c(=O)oc4c3[C@]1([H])C[C@H](O)O2)C(=O)CC5
InChIInChI=1S/C17H14O7/c1-21-9-5-10-14(7-4-11(19)23-17(7)22-10)15-13(9)6-2-3-8(18)12(6)16(20)24-15/h5,7,11,17,19H,2-4H2,1H3/t7-,11+,17-/m0/s1
InChIKeyPFQSKXVNBUHPIW-AUWAXLAASA-N
ChEBI Ontology
Outgoing Relation(s)
Aflatoxin B2a (CHEBI:174455) is a coumarins (CHEBI:23403)
IUPAC Name 
(3S,5R,7S)-5-hydroxy-11-methoxy-6,8,19-trioxapentacyclo[10.7.0.02,9.03,7.013,17]nonadeca-1,9,11,13(17)-tetraene-16,18-dione
Manual XrefsDatabases
94622ChemSpider
Registry NumbersSources
CAS:17878-54-5ChemIDplus