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CHEBI:207164 - Penazaphilone A

ChEBI IDCHEBI:207164
ChEBI NamePenazaphilone A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H34ClNO6
Net Charge0
Average Mass504.023
Monoisotopic Mass503.20747
SMILESCC[C@H](C)C=C(C)C=CC1=CC2=C(Cl)C(=O)[C@@](C)(OC(C)=O)C(=O)C2=CN1C(CC(C)C)C(=O)O
InChIInChI=1S/C27H34ClNO6/c1-8-16(4)12-17(5)9-10-19-13-20-21(14-29(19)22(26(33)34)11-15(2)3)24(31)27(7,35-18(6)30)25(32)23(20)28/h9-10,12-16,22H,8,11H2,1-7H3,(H,33,34)/t16-,22?,27-/m0/s1
InChIKeyCNZFWLBJCSNNHK-SOKXFTHGSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (30702881)
ChEBI Ontology
Outgoing Relation(s)
Penazaphilone A (CHEBI:207164) is a leucine derivative (CHEBI:47003)
IUPAC Name 
2-[(7S)-7-acetyloxy-5-chloro-3-[(5S)-3,5-dimethylhepta-1,3-dienyl]-7-methyl-6,8-dioxoisoquinolin-2-yl]-4-methylpentanoic acid