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CHEBI:215230 - Isochromophilone IX

ChEBI IDCHEBI:215230
ChEBI NameIsochromophilone IX
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SubmitterMetaboLights
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FormulaC25H30ClNO6
Net Charge0
Average Mass475.969
Monoisotopic Mass475.17617
SMILESCC[C@H](C)/C=C(C)/C=C/C1=CC2=C(Cl)C(=O)[C@](C)(OC(C)=O)C(=O)C2=CN1CCCC(=O)O
InChIInChI=1S/C25H30ClNO6/c1-6-15(2)12-16(3)9-10-18-13-19-20(14-27(18)11-7-8-21(29)30)23(31)25(5,33-17(4)28)24(32)22(19)26/h9-10,12-15H,6-8,11H2,1-5H3,(H,29,30)/b10-9+,16-12+/t15-,25+/m0/s1
InChIKeySAMXBYLRDCRTCV-ZPVXUDNESA-N
Species of MetaboliteComponentSourceComments
Penicilliumspecies (ncbitaxon:5081) - DOI (10.1071/ch02021)
Roles Classification
Biological Role:
fungal metabolite  Any eukaryotic metabolite produced during a metabolic reaction in fungi, the kingdom that includes microorganisms such as the yeasts and moulds.
ChEBI Ontology
Outgoing Relation(s)
Isochromophilone IX (CHEBI:215230) is a azaphilone (CHEBI:50941)
IUPAC Name 
4-[(7R)-7-acetyloxy-5-chloro-3-[(1E,3E,5S)-3,5-dimethylhepta-1,3-dienyl]-7-methyl-6,8-dioxoisoquinolin-2-yl]butanoic acid
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