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

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 3,5-Dimethyl-1,2-cyclopentanedione
ChEBI ID CHEBI:195838
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C7H10O2
Net Charge 0
Average Mass 126.155
Monoisotopic Mass 126.06808
InChI InChI=1S/C7H10O2/c1-4-3-5(2)7(9)6(4)8/h4-5H,3H2,1-2H3
InChIKey MIDXCONKKJTLDX-UHFFFAOYSA-N
SMILES O=C1C(CC(C1=O)C)C
ChEBI Ontology
Outgoing 3,5-Dimethyl-1,2-cyclopentanedione (CHEBI:195838) is a cyclic ketone (CHEBI:3992)
IUPAC Name
3,5-dimethylcyclopentane-1,2-dione
Manual Xrefs Databases
55542 ChemSpider
D95710 KEGG DRUG
HMDB0037027 HMDB
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