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CHEBI:205379 - (-)-petchioic A

ChEBI IDCHEBI:205379
ChEBI Name(-)-petchioic A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC12H18O4
Net Charge0
Average Mass226.272
Monoisotopic Mass226.12051
SMILESCCC1=C[C@](CC(=O)OC)(C(=O)O)CCC1
InChIInChI=1S/C12H18O4/c1-3-9-5-4-6-12(7-9,11(14)15)8-10(13)16-2/h7H,3-6,8H2,1-2H3,(H,14,15)/t12-/m1/s1
InChIKeyVCYWIBJFGBKEAQ-GFCCVEGCSA-N
Species of MetaboliteComponentSourceComments
Ganoderma (ncbitaxon:5314) - PubMed (26277755)
ChEBI Ontology
Outgoing Relation(s)
(-)-petchioic A (CHEBI:205379) is a fatty acid ester (CHEBI:35748)
IUPAC Name 
(1S)-3-ethyl-1-(2-methoxy-2-oxoethyl)cyclohex-2-ene-1-carboxylic acid
Manual XrefsDatabases
78442310ChemSpider