Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 04:53:23 UTC
Update Date2025-03-24 14:05:30 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00754738
Frequency2.0
Structure
Chemical FormulaC7H10O2
Molecular Mass126.0681
SMILESCC=CC=CC(=O)CO
InChI KeyHHLYZMUZBIFMCS-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclasslipids and lipid-like molecules
Classfatty acyls
Subclass fatty alcohols
Direct Parent fatty alcohols
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • acryloyl compounds
  • alcohols and polyols
  • alpha-hydroxy ketones
  • enones
  • hydrocarbon derivatives
  • organic oxides
  • Substituents
  • alcohol
  • aliphatic acyclic compound
  • carbonyl group
  • alpha,beta-unsaturated ketone
  • alpha-hydroxy ketone
  • ketone
  • organic oxide
  • organic oxygen compound
  • fatty alcohol
  • hydrocarbon derivative
  • acryloyl-group
  • organooxygen compound
  • enone