Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:23:25 UTC
Update Date2025-03-21 18:38:02 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00118640
Frequency22.0
Structure
Chemical FormulaC10H11NO2
Molecular Mass177.079
SMILESNC(Cc1ccccc1)C(O)=C=O
InChI KeyVFZWKMPQWQNRNX-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass phenethylamines
Direct Parent amphetamines and derivatives
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • benzene and substituted derivatives
  • hydrocarbon derivatives
  • monoalkylamines
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • ynolates
  • Substituents
  • aromatic homomonocyclic compound
  • organic oxide
  • organic oxygen compound
  • ynolate
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • organooxygen compound
  • amphetamine or derivatives