Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:08:46 UTC
Update Date2025-03-25 00:56:56 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02221641
Frequency0.5
Structure
Chemical FormulaC12H15NO5
Molecular Mass253.095
SMILESO=C(O)CC(O)CN(O)C(=O)Cc1ccccc1
InChI KeyTYUPQYQELDYTNZ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass phenylacetamides
Direct Parent phenylacetamides
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • beta hydroxy acids and derivatives
  • carbonyl compounds
  • carboxylic acids
  • hydrocarbon derivatives
  • hydroxamic acids
  • monocarboxylic acids and derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • secondary alcohols
  • Substituents
  • alcohol
  • carbonyl group
  • carboxylic acid
  • hydroxy acid
  • carboxylic acid derivative
  • aromatic homomonocyclic compound
  • beta-hydroxy acid
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • hydroxamic acid
  • phenylacetamide
  • organooxygen compound