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CHEBI:182634 - 2-(3-Oxo-2-pent-2-enylcyclopentyl)acetic acid

ChEBI IDCHEBI:182634
ChEBI Name2-(3-Oxo-2-pent-2-enylcyclopentyl)acetic acid
Stars
Last Modified24 February 2022
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H18O3
Net Charge0
Average Mass210.273
Monoisotopic Mass210.12559
SMILESCCC=CCC1C(=O)CCC1CC(=O)O
InChIInChI=1S/C12H18O3/c1-2-3-4-5-10-9(8-12(14)15)6-7-11(10)13/h3-4,9-10H,2,5-8H2,1H3,(H,14,15)
InChIKeyZNJFBWYDHIGLCU-UHFFFAOYSA-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)
2-(3-Oxo-2-pent-2-enylcyclopentyl)acetic acid (CHEBI:182634) has functional parent jasmonic acid (CHEBI:18292)
2-(3-Oxo-2-pent-2-enylcyclopentyl)acetic acid (CHEBI:182634) is a Jasmonate derivatives (CHEBI:167055)
IUPAC Name 
2-(3-oxo-2-pent-2-enylcyclopentyl)acetic acid
Manual XrefsDatabases
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