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CHEBI:205435 - Isochromophilone IIa

ChEBI IDCHEBI:205435
ChEBI NameIsochromophilone IIa
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SubmitterMetaboLights
DownloadsMolfile
FormulaC22H27ClO4
Net Charge0
Average Mass390.907
Monoisotopic Mass390.15979
SMILESCC[C@H](C)/C=C(C)/C=C/C1=CC2=C(Cl)C(=O)[C@](C)(O)[C@H](CC(C)=O)C2=CO1
InChIInChI=1S/C22H27ClO4/c1-6-13(2)9-14(3)7-8-16-11-17-18(12-27-16)19(10-15(4)24)22(5,26)21(25)20(17)23/h7-9,11-13,19,26H,6,10H2,1-5H3/b8-7+,14-9+/t13-,19+,22+/m0/s1
InChIKeyQEPMTPAOVMUVBT-VOQBEJNXSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (7649871)
ChEBI Ontology
Outgoing Relation(s)
Isochromophilone IIa (CHEBI:205435) is a cyclohexenones (CHEBI:48953)
IUPAC Name 
(7R,8R)-5-chloro-3-[(1E,3E,5S)-3,5-dimethylhepta-1,3-dienyl]-7-hydroxy-7-methyl-8-(2-oxopropyl)-8H-isochromen-6-one
Manual XrefsDatabases
4942926ChemSpider