CHEBI:174455 - Aflatoxin B2a

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Aflatoxin B2a
ChEBI ID CHEBI:174455
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C17H14O7
Net Charge 0
Average Mass 330.292
Monoisotopic Mass 330.07395
InChI InChI=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
InChIKey PFQSKXVNBUHPIW-AUWAXLAASA-N
SMILES O1[C@@]2(OC=3C([C@@]2(C[C@@H]1O)[H])=C4OC(=O)C5=C(C4=C(OC)C3)CCC5=O)[H]
ChEBI Ontology
Outgoing 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 Xref Database
94622 ChemSpider
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Registry Number Type Source
17878-54-5 CAS Registry Number ChemIDplus