Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 16:20:24 UTC
Update Date2025-03-25 01:23:49 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02386259
Frequency0.5
Structure
Chemical FormulaC7H10O3
Molecular Mass142.063
SMILESCOC1C=CC(=O)C(O)C1
InChI KeyIWGKRVCUBXSLPJ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent cyclohexenones
Geometric Descriptor aliphatic homomonocyclic compounds
Alternative Parents
  • dialkyl ethers
  • hydrocarbon derivatives
  • organic oxides
  • secondary alcohols
  • Substituents
  • alcohol
  • cyclohexenone
  • ether
  • dialkyl ether
  • organic oxide
  • secondary alcohol
  • aliphatic homomonocyclic compound
  • hydrocarbon derivative