Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:58:14 UTC
Update Date2025-03-25 00:52:57 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02197148
Frequency0.5
Structure
Chemical FormulaC11H12O3
Molecular Mass192.0786
SMILESCCC(=O)C(=O)C(O)c1ccccc1
InChI KeyFWXPANPLKVFYGV-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass benzene and substituted derivatives
Direct Parent benzene and substituted derivatives
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • acyloins
  • alpha-diketones
  • alpha-hydroxy ketones
  • aromatic alcohols
  • beta-hydroxy ketones
  • hydrocarbon derivatives
  • monosaccharides
  • organic oxides
  • secondary alcohols
  • Substituents
  • aromatic alcohol
  • alcohol
  • beta-hydroxy ketone
  • monocyclic benzene moiety
  • carbonyl group
  • monosaccharide
  • alpha-hydroxy ketone
  • alpha-diketone
  • ketone
  • aromatic homomonocyclic compound
  • saccharide
  • organic oxide
  • organic oxygen compound
  • acyloin
  • secondary alcohol
  • hydrocarbon derivative
  • organooxygen compound