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CHEBI:216479 - Nigbeauvin A

ChEBI IDCHEBI:216479
ChEBI NameNigbeauvin A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC15H18O4
Net Charge0
Average Mass262.305
Monoisotopic Mass262.12051
SMILESCC=CC=C[C@@H]1CC2=CC(=O)[C@@](C)(O)[C@H](O)C2=CO1
InChIInChI=1S/C15H18O4/c1-3-4-5-6-11-7-10-8-13(16)15(2,18)14(17)12(10)9-19-11/h3-6,8-9,11,14,17-18H,7H2,1-2H3/t11-,14-,15-/m1/s1
InChIKeyFTBCHLDHGULHKT-KCPJHIHWSA-N
ChEBI Ontology
Outgoing Relation(s)
Nigbeauvin A (CHEBI:216479) is a benzopyran (CHEBI:22727)
IUPAC Name 
(3S,7S,8R)-7,8-dihydroxy-7-methyl-3-penta-1,3-dienyl-4,8-dihydro-3H-isochromen-6-one