Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:20:19 UTC
Update Date2025-03-21 18:36:32 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00111126
Frequency23.9
Structure
Chemical FormulaC16H16N2O
Molecular Mass252.1263
SMILESCC(=O)NCCc1c[nH]c2cc3ccccc3cc12
InChI KeyIYZSWEVNBCNDBA-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classnaphthalenes
Subclass naphthalenes
Direct Parent naphthalenes
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • acetamides
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids and derivatives
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • indoles
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • pyrroles
  • secondary carboxylic acid amides
  • Substituents
  • carbonyl group
  • azacycle
  • indole
  • heteroaromatic compound
  • indole or derivatives
  • carboxamide group
  • carboxylic acid derivative
  • secondary carboxylic acid amide
  • organic oxide
  • naphthalene
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • pyrrole
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organoheterocyclic compound
  • acetamide
  • organooxygen compound