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CHEBI:180008 - (+)-7-epi--9,10-dihydrojasmonic acid

ChEBI IDCHEBI:180008
ChEBI Name(+)-7-epi--9,10-dihydrojasmonic acid
Stars
Last Modified24 February 2022
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H20O3
Net Charge0
Average Mass212.289
Monoisotopic Mass212.14124
SMILESCCCCC[C@H]1C(=O)CC[C@H]1CC(=O)O
InChIInChI=1S/C12H20O3/c1-2-3-4-5-10-9(8-12(14)15)6-7-11(10)13/h9-10H,2-8H2,1H3,(H,14,15)/t9-,10+/m0/s1
InChIKeyPQEYTAGBXNEUQL-VHSXEESVSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
(+)-7-epi--9,10-dihydrojasmonic acid (CHEBI:180008) has functional parent jasmonic acid (CHEBI:18292)
(+)-7-epi--9,10-dihydrojasmonic acid (CHEBI:180008) is a Jasmonate derivatives (CHEBI:167055)
(+)-7-epi--9,10-dihydrojasmonic acid (CHEBI:180008) is a oxo monocarboxylic acid (CHEBI:35871)
IUPAC Name 
2-[(1S,2R)-3-oxo-2-pentylcyclopentyl]acetic acid
Manual XrefsDatabases
17220766ChemSpider
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