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CHEBI:168669 - methyl 4-[2-(2-formyl-vinyl)-3-hydroxy-5-oxo-cyclopentyl]-butanoate

ChEBI IDCHEBI:168669
ChEBI Namemethyl 4-[2-(2-formyl-vinyl)-3-hydroxy-5-oxo-cyclopentyl]-butanoate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H18O5
Net Charge0
Average Mass254.282
Monoisotopic Mass254.11542
SMILESCOC(=O)CCCC1C(=O)CC(O)C1/C=C/C=O
InChIInChI=1S/C13H18O5/c1-18-13(17)6-2-4-9-10(5-3-7-14)12(16)8-11(9)15/h3,5,7,9-10,12,16H,2,4,6,8H2,1H3/b5-3+
InChIKeyGMLSPPGVFGIUKF-HWKANZROSA-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)
methyl 4-[2-(2-formyl-vinyl)-3-hydroxy-5-oxo-cyclopentyl]-butanoate (CHEBI:168669) is a fatty acid methyl ester (CHEBI:4986)
IUPAC Name 
methyl 4-[3-hydroxy-5-oxo-2-[(E)-3-oxoprop-1-enyl]cyclopentyl]butanoate
Manual XrefsDatabases
LMFA01050152LIPID MAPS
4446103ChemSpider