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CHEBI:212651 - PP-V

ChEBI IDCHEBI:212651
ChEBI NamePP-V
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SubmitterMetaboLights
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FormulaC23H25NO6
Net Charge0
Average Mass411.454
Monoisotopic Mass411.16819
SMILESCCCCCCCC(O)=C1C(=O)O[C@@]2(C)C(=O)c3cnc(/C=C\C(=O)O)cc3C=C12
InChIInChI=1S/C23H25NO6/c1-3-4-5-6-7-8-18(25)20-17-12-14-11-15(9-10-19(26)27)24-13-16(14)21(28)23(17,2)30-22(20)29/h9-13,25H,3-8H2,1-2H3,(H,26,27)/b10-9-,20-18?/t23-/m1/s1
InChIKeyTYLCHVKPMJNALF-OYAKOLDKSA-N
Species of MetaboliteComponentSourceComments
Penicilliumspecies (ncbitaxon:5081) - PubMed (16232932)
ChEBI Ontology
Outgoing Relation(s)
PP-V (CHEBI:212651) is a aromatic ketone (CHEBI:76224)
IUPAC Name 
(Z)-3-[(9aR)-3-(1-hydroxyoctylidene)-9a-methyl-2,9-dioxouro[3,2-g]isoquinolin-6-yl]prop-2-enoic acid
Manual XrefsDatabases
78437471ChemSpider