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CHEBI:202822 - (-)-petchioic B

ChEBI IDCHEBI:202822
ChEBI Name(-)-petchioic B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC12H18O4
Net Charge0
Average Mass226.272
Monoisotopic Mass226.12051
SMILESCCC1=C[C@](CC(=O)O)(C(=O)OC)CCC1
InChIInChI=1S/C12H18O4/c1-3-9-5-4-6-12(7-9,8-10(13)14)11(15)16-2/h7H,3-6,8H2,1-2H3,(H,13,14)/t12-/m1/s1
InChIKeyMHGVHCDAKLKLEF-GFCCVEGCSA-N
Species of MetaboliteComponentSourceComments
Ganoderma (ncbitaxon:5314) - PubMed (26277755)
ChEBI Ontology
Outgoing Relation(s)
(-)-petchioic B (CHEBI:202822) is a fatty acid ester (CHEBI:35748)
IUPAC Name 
2-[(1S)-3-ethyl-1-methoxycarbonylcyclohex-2-en-1-yl]acetic acid
Manual XrefsDatabases
78442297ChemSpider