Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:26:19 UTC
Update Date2025-03-21 18:39:23 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00125420
Frequency20.5
Structure
Chemical FormulaC11H13NO3
Molecular Mass207.0895
SMILESCN(C)C(=O)OC(=O)Cc1ccccc1
InChI KeyAMNPELZISDDUPA-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
  • carbonyl compounds
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic carbonic acids and derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • Substituents
  • monocyclic benzene moiety
  • carbonyl group
  • carbonic acid derivative
  • carboxylic acid derivative
  • aromatic homomonocyclic compound
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound