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CHEBI:222755 - Diaporone A

ChEBI IDCHEBI:222755
ChEBI NameDiaporone A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC18H22O3
Net Charge0
Average Mass286.371
Monoisotopic Mass286.15689
SMILESCC[C@H](C)/C=C(C)/C=C/[C@@H]1Cc2cccc(O)c2C(=O)O1
InChIInChI=1S/C18H22O3/c1-4-12(2)10-13(3)8-9-15-11-14-6-5-7-16(19)17(14)18(20)21-15/h5-10,12,15,19H,4,11H2,1-3H3/b9-8+,13-10+/t12-,15+/m0/s1
InChIKeyIMZOZXSIXWLYOO-LZCOYCGPSA-N
Species of MetaboliteComponentSourceComments
Diaporthespecies (ncbitaxon:1756133) - PubMed (31666659)
ChEBI Ontology
Outgoing Relation(s)
Diaporone A (CHEBI:222755) is a 2-benzopyran (CHEBI:38444)
IUPAC Name 
(3S)-3-[(1E,3E,5S)-3,5-dimethylhepta-1,3-dienyl]-8-hydroxy-3,4-dihydroisochromen-1-one