Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 12:53:43 UTC
Update Date2025-03-24 21:49:49 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01904496
Frequency0.6
Structure
Chemical FormulaC8H14O2
Molecular Mass142.0994
SMILESCC(=CC(=O)C(C)C)CO
InChI KeyWEQGHPKAVGEDSD-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
  • enones
  • hydrocarbon derivatives
  • ketones
  • organic oxides
  • Substituents
  • alcohol
  • aliphatic acyclic compound
  • carbonyl group
  • alpha,beta-unsaturated ketone
  • ketone
  • organic oxide
  • organic oxygen compound
  • fatty alcohol
  • hydrocarbon derivative
  • acryloyl-group
  • organooxygen compound
  • enone