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CHEBI:177664 - 9,10-Dihydrojasmonic acid

ChEBI IDCHEBI:177664
ChEBI Name9,10-Dihydrojasmonic acid
Stars
Last Modified24 February 2022
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H20O3
Net Charge0
Average Mass212.289
Monoisotopic Mass212.14124
SMILESCCCCCC1C(=O)CCC1CC(=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)
InChIKeyPQEYTAGBXNEUQL-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Sus scrofa (ncbitaxon:9823) Sausage (ENVO:00002166) MetaboLights (MTBLS2871)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
9,10-Dihydrojasmonic acid (CHEBI:177664) has functional parent jasmonic acid (CHEBI:18292)
9,10-Dihydrojasmonic acid (CHEBI:177664) is a Jasmonate derivatives (CHEBI:167055)
IUPAC Name 
2-(3-oxo-2-pentylcyclopentyl)acetic acid
Manual XrefsDatabases
96397ChemSpider
HMDB0033601HMDB
Registry NumbersSources
CAS:3572-64-3ChemIDplus