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CHEBI:185027 - 3-Ethyl-2-hydroxy-4-methylcyclopent-2-en-1-one

ChEBI IDCHEBI:185027
ChEBI Name3-Ethyl-2-hydroxy-4-methylcyclopent-2-en-1-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC8H12O2
Net Charge0
Average Mass140.182
Monoisotopic Mass140.08373
SMILESCCC1=C(O)C(=O)CC1C
InChIInChI=1S/C8H12O2/c1-3-6-5(2)4-7(9)8(6)10/h5,10H,3-4H2,1-2H3
InChIKeyRSVAFMGHIDKYKB-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Bos taurus (ncbitaxon:9913) spermatozoon (BTO:0001277) MetaboLights (MTBLS1071) Strain: Holstein [LBO:0000132]
ChEBI Ontology
Outgoing Relation(s)
3-Ethyl-2-hydroxy-4-methylcyclopent-2-en-1-one (CHEBI:185027) is a cyclic ketone (CHEBI:3992)
IUPAC Name 
3-ethyl-2-hydroxy-4-methylcyclopent-2-en-1-one
Manual XrefsDatabases
460789ChemSpider
HMDB0036176HMDB
Registry NumbersSources
CAS:42348-12-9ChemIDplus