Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:39:56 UTC
Update Date2025-03-25 00:46:31 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02155673
Frequency0.5
Structure
Chemical FormulaC14H16N2O
Molecular Mass228.1263
SMILESCc1ccc2ccccc2c1CC(N)C(N)=O
InChI KeyBTOXODXNDKIOER-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classnaphthalenes
Subclass naphthalenes
Direct Parent naphthalenes
Geometric Descriptor aromatic homopolycyclic compounds
Alternative Parents
  • alpha amino acids
  • carbonyl compounds
  • carboxylic acids and derivatives
  • fatty amides
  • hydrocarbon derivatives
  • monoalkylamines
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • primary carboxylic acid amides
  • Substituents
  • primary carboxylic acid amide
  • fatty acyl
  • carbonyl group
  • fatty amide
  • aromatic homopolycyclic compound
  • alpha-amino acid or derivatives
  • carboxamide group
  • carboxylic acid derivative
  • organic oxide
  • naphthalene
  • organic oxygen compound
  • organonitrogen compound
  • alpha-amino acid
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • organooxygen compound