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CHEBI:198151 - 5-Bromoochrephilone

ChEBI IDCHEBI:198151
ChEBI Name5-Bromoochrephilone
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SubmitterMetaboLights
DownloadsMolfile
FormulaC23H25BrO5
Net Charge0
Average Mass461.352
Monoisotopic Mass460.08854
SMILESCC[C@H](C)/C=C(C)/C=C/C1=CC2=C(Br)C(=O)[C@]3(C)OC(=O)[C@@H](C(C)=O)[C@@H]3C2=CO1
InChIInChI=1S/C23H25BrO5/c1-6-12(2)9-13(3)7-8-15-10-16-17(11-28-15)19-18(14(4)25)22(27)29-23(19,5)21(26)20(16)24/h7-12,18-19H,6H2,1-5H3/b8-7+,13-9+/t12-,18-,19-,23+/m0/s1
InChIKeyYVLXPVGJCIVWMQ-WJKJBVSTSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (9918393)
ChEBI Ontology
Outgoing Relation(s)
5-Bromoochrephilone (CHEBI:198151) is a cyclohexenones (CHEBI:48953)
IUPAC Name 
(6aR,9R,9aR)-9-acetyl-5-bromo-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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8225496ChemSpider