EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:195838 - 3,5-Dimethyl-1,2-cyclopentanedione

ChEBI IDCHEBI:195838
ChEBI Name3,5-Dimethyl-1,2-cyclopentanedione
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC7H10O2
Net Charge0
Average Mass126.155
Monoisotopic Mass126.06808
SMILESCC1CC(C)C(=O)C1=O
InChIInChI=1S/C7H10O2/c1-4-3-5(2)7(9)6(4)8/h4-5H,3H2,1-2H3
InChIKeyMIDXCONKKJTLDX-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
3,5-Dimethyl-1,2-cyclopentanedione (CHEBI:195838) is a cyclic ketone (CHEBI:3992)
IUPAC Name 
3,5-dimethylcyclopentane-1,2-dione
Manual XrefsDatabases
D95710KEGG DRUG
55542ChemSpider
HMDB0037027HMDB