Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 04:31:44 UTC
Update Date2025-03-24 13:57:29 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00702378
Frequency2.2
Structure
Chemical FormulaC8H14O2
Molecular Mass142.0994
SMILESC=C(OC(=O)CC)C(C)C
InChI KeyUYINGUCGWNFUDE-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classcarboxylic acids and derivatives
Subclass carboxylic acid derivatives
Direct Parent enol esters
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • carbonyl compounds
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • Substituents
  • aliphatic acyclic compound
  • carbonyl group
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • hydrocarbon derivative
  • enol ester
  • organooxygen compound