Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:38:26 UTC
Update Date2025-03-21 17:58:03 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00011855
Frequency386.9
Structure
Chemical FormulaC9H14O2
Molecular Mass154.0994
SMILESCCOC(=O)C1=C(C)CCC1
InChI KeyOFSLDYNRTCQKFU-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classcarboxylic acids and derivatives
Subclass carboxylic acid derivatives
Direct Parent enoate esters
Geometric Descriptor aliphatic homomonocyclic compounds
Alternative Parents
  • carbonyl compounds
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • Substituents
  • enoate ester
  • carbonyl group
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • aliphatic homomonocyclic compound
  • hydrocarbon derivative
  • organooxygen compound