Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:53:14 UTC
Update Date2025-03-21 18:03:45 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00046313
Frequency72.4
Structure
Chemical FormulaC9H11NO
Molecular Mass149.0841
SMILESCC(=O)C(N)c1ccccc1
InChI KeyFSTYOUCNSTZVDF-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass phenylpropanes
Direct Parent phenylpropanes
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • hydrocarbon derivatives
  • ketones
  • monoalkylamines
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • Substituents
  • carbonyl group
  • ketone
  • phenylpropane
  • aromatic homomonocyclic compound
  • organic oxide
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • organooxygen compound