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

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	(Z)-3-Oxo-2-(2-pentenyl)-1-cyclopenteneacetic acid

ChEBI ID	CHEBI:168229

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C12H16O3

Net Charge

Average Mass

208.257

Monoisotopic Mass

208.10994

InChI

InChI=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+

InChIKey

QAAHGFINENUHAR-ONEGZZNKSA-N

SMILES

O=C1C(=C(CC1)CC(O)=O)C/C=C/CC

Metabolite of Species	Details
Malus domestica (NCBI:txid3750)	Found in exocarp (BTO:0000733). of strain Malus x domestica Borkh. cv. Ruixue See: MetaboLights Study

ChEBI Ontology
Outgoing	(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