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CHEBI:207171 - Penazaphilone B

Default Structure
ChEBI IDCHEBI:207171
ChEBI NamePenazaphilone B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H36ClNO6
Net Charge0
Average Mass518.050
Monoisotopic Mass517.22312
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)OC
InChIInChI=1S/C28H36ClNO6/c1-9-17(4)13-18(5)10-11-20-14-21-22(15-30(20)23(12-16(2)3)27(34)35-8)25(32)28(7,36-19(6)31)26(33)24(21)29/h10-11,13-17,23H,9,12H2,1-8H3/t17-,23?,28-/m0/s1
InChIKeyJWHIWZAITLJMLU-LUJBDZGHSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (30702881)
ChEBI Ontology
Outgoing Relation(s)
Penazaphilone B (CHEBI:207171) is a leucine derivative (CHEBI:47003)
IUPAC Name 
methyl 2-[(7S)-7-acetyloxy-5-chloro-3-[(5S)-3,5-dimethylhepta-1,3-dienyl]-7-methyl-6,8-dioxoisoquinolin-2-yl]-4-methylpentanoate