Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:17:15 UTC
Update Date2025-03-25 01:00:01 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02240695
Frequency0.5
Structure
Chemical FormulaC11H12O4
Molecular Mass208.0736
SMILESCC(=O)OC(C(=O)CO)c1ccccc1
InChI KeyXAEVVWGYLODRDL-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass benzyloxycarbonyls
Direct Parent benzyloxycarbonyls
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • alcohols and polyols
  • alpha-acyloxy ketones
  • alpha-hydroxy ketones
  • carboxylic acid esters
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • monosaccharides
  • organic oxides
  • Substituents
  • benzyloxycarbonyl
  • alcohol
  • carbonyl group
  • alpha-acyloxy ketone
  • monosaccharide
  • alpha-hydroxy ketone
  • carboxylic acid derivative
  • ketone
  • aromatic homomonocyclic compound
  • saccharide
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • carboxylic acid ester
  • hydrocarbon derivative
  • organooxygen compound