CHEBI:195719 - 3,4,4-Trimethyl-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 3,4,4-Trimethyl-1,2-cyclopentanedione
ChEBI ID CHEBI:195719
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C8H12O2
Net Charge 0
Average Mass 140.182
Monoisotopic Mass 140.08373
InChI InChI=1S/C8H12O2/c1-5-7(10)6(9)4-8(5,2)3/h10H,4H2,1-3H3
InChIKey LTRJTLUJZFBIEN-UHFFFAOYSA-N
SMILES OC1=C(C(CC1=O)(C)C)C
ChEBI Ontology
Outgoing 3,4,4-Trimethyl-1,2-cyclopentanedione (CHEBI:195719) is a cyclic ketone (CHEBI:3992)
IUPAC Name
2-hydroxy-3,4,4-trimethylcyclopent-2-en-1-one
Manual Xrefs Databases
4934163 ChemSpider
HMDB0040526 HMDB
View more database links