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CHEBI:200031 - Peniazaphilone B

ChEBI IDCHEBI:200031
ChEBI NamePeniazaphilone B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H31NO6
Net Charge0
Average Mass465.546
Monoisotopic Mass465.21514
SMILESCC[C@H](C)C=C(C)C=CC1=CC2=CC(=O)[C@]3(C)OC(=O)C(C(C)=O)=C3C2=CN1CCCC(=O)O
InChIInChI=1S/C27H31NO6/c1-6-16(2)12-17(3)9-10-20-13-19-14-22(30)27(5)25(24(18(4)29)26(33)34-27)21(19)15-28(20)11-7-8-23(31)32/h9-10,12-16H,6-8,11H2,1-5H3,(H,31,32)/t16-,27-/m0/s1
InChIKeyXZIWRRBXKSLUNI-OQRWROFFSA-N
Species of MetaboliteComponentSourceComments
Penicilliumspecies zj-27 (ncbitaxon:1400944) - DOI (10.1016/j.phytol.2016.10.010)
ChEBI Ontology
Outgoing Relation(s)
Peniazaphilone B (CHEBI:200031) is a isoquinolines (CHEBI:24922)
IUPAC Name 
4-[(6aR)-9-acetyl-3-[(5S)-3,5-dimethylhepta-1,3-dienyl]-6a-methyl-6,8-dioxouro[2,3-h]isoquinolin-2-yl]butanoic acid