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CHEBI:168229 - (Z)-3-Oxo-2-(2-pentenyl)-1-cyclopenteneacetic acid

ChEBI IDCHEBI:168229
ChEBI Name(Z)-3-Oxo-2-(2-pentenyl)-1-cyclopenteneacetic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H16O3
Net Charge0
Average Mass208.257
Monoisotopic Mass208.10994
SMILESCC/C=C/CC1=C(CC(=O)O)CCC1=O
InChIInChI=1S/C12H16O3/c1-2-3-4-5-10-9(8-12(14)15)6-7-11(10)13/h3-4H,2,5-8H2,1H3,(H,14,15)/b4-3+
InChIKeyQAAHGFINENUHAR-ONEGZZNKSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
(Z)-3-Oxo-2-(2-pentenyl)-1-cyclopenteneacetic acid (CHEBI:168229) is a cyclic ketone (CHEBI:3992)
IUPAC Name 
2-[3-oxo-2-[(E)-pent-2-enyl]cyclopenten-1-yl]acetic acid
Manual XrefsDatabases
HMDB0030197HMDB
30776818ChemSpider