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CHEBI:207152 - Penazaphilone E

ChEBI IDCHEBI:207152
ChEBI NamePenazaphilone E
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SubmitterMetaboLights
DownloadsMolfile
FormulaC21H24ClNO4
Net Charge0
Average Mass389.879
Monoisotopic Mass389.13939
SMILESCC[C@H](C)/C=C(C)/C=C/c1cc2c(cn1)C(=O)[C@](C)(OC(C)=O)C(O)=C2Cl
InChIInChI=1S/C21H24ClNO4/c1-6-12(2)9-13(3)7-8-15-10-16-17(11-23-15)19(25)21(5,27-14(4)24)20(26)18(16)22/h7-12,26H,6H2,1-5H3/b8-7+,13-9+/t12-,21-/m0/s1
InChIKeyTYTKCJXGLSJWJW-SGAXEVNMSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (30702881)
ChEBI Ontology
Outgoing Relation(s)
Penazaphilone E (CHEBI:207152) is a aromatic ketone (CHEBI:76224)
IUPAC Name 
[(7R)-5-chloro-3-[(1E,3E,5S)-3,5-dimethylhepta-1,3-dienyl]-6-hydroxy-7-methyl-8-oxoisoquinolin-7-yl] acetate