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CHEBI:226774 - Ochrephilone

ChEBI IDCHEBI:226774
ChEBI NameOchrephilone
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SubmitterMetaboLights
DownloadsMolfile
FormulaC23H26O5
Net Charge0
Average Mass382.456
Monoisotopic Mass382.17802
SMILESCC[C@H](C)/C=C(C)/C=C/C1=CC2=CC(=O)[C@]3(C)OC(=O)C(C(C)=O)C3C2=CO1
InChIInChI=1S/C23H26O5/c1-6-13(2)9-14(3)7-8-17-10-16-11-19(25)23(5)21(18(16)12-27-17)20(15(4)24)22(26)28-23/h7-13,20-21H,6H2,1-5H3/b8-7+,14-9+/t13-,20?,21?,23-/m0/s1
InChIKeyGAIVGINVGXHEIA-GHGIWVLHSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - DOI (10.1016/S0040-4039(01)82295-4)
ChEBI Ontology
Outgoing Relation(s)
Ochrephilone (CHEBI:226774) is a cyclohexenones (CHEBI:48953)
IUPAC Name 
(6aR)-9-acetyl-3-[(1E,3E,5S)-3,5-dimethylhepta-1,3-dienyl]-6a-methyl-9,9a-dihydrouro[2,3-h]isochromene-6,8-dione
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78443572ChemSpider