Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:52:39 UTC
Update Date2025-03-25 00:51:03 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02184520
Frequency0.5
Structure
Chemical FormulaC10H14N2O3
Molecular Mass210.1004
SMILESNC(Cc1ccccc1)C(O)C(=O)NO
InChI KeyKDXKKDNWPNPHKV-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classcarboxylic acids and derivatives
Subclass amino acids, peptides, and analogues
Direct Parent beta amino acids and derivatives
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • amphetamines and derivatives
  • benzene and substituted derivatives
  • carbonyl compounds
  • carboxylic acids and derivatives
  • hydrocarbon derivatives
  • hydroxamic acids
  • monoalkylamines
  • monosaccharides
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • secondary alcohols
  • Substituents
  • alcohol
  • monocyclic benzene moiety
  • carbonyl group
  • monosaccharide
  • beta amino acid or derivatives
  • aromatic homomonocyclic compound
  • saccharide
  • organic oxide
  • organic oxygen compound
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • primary aliphatic amine
  • organic nitrogen compound
  • hydroxamic acid
  • organooxygen compound
  • amphetamine or derivatives