Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:49:47 UTC
Update Date2025-03-21 18:02:27 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00038074
Frequency92.0
Structure
Chemical FormulaC7H12O2
Molecular Mass128.0837
SMILESCCC(O)CC=CC=O
InChI KeyNWAIOHPZEQWKOQ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent medium-chain aldehydes
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • hydrocarbon derivatives
  • organic oxides
  • secondary alcohols
  • Substituents
  • alcohol
  • aliphatic acyclic compound
  • organic oxide
  • secondary alcohol
  • hydrocarbon derivative
  • medium-chain aldehyde