Hmdb loader

Showing information for DMID00127061

Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:27:00 UTC
Update Date2025-03-21 18:39:44 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00127061
Frequency20.1
Structure
Chemical FormulaC16H18N2O3
Molecular Mass286.1317
SMILESCOc1ccc2nccc(C(O)C3CCC(=O)N3C)c2c1
InChI KeyGKBVUFDZIKTURJ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classquinolines and derivatives
Subclass 4-quinolinemethanols
Direct Parent 4-quinolinemethanols
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 2-halopyridines
  • alkyl aryl ethers
  • anisoles
  • aromatic alcohols
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids and derivatives
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • hydroxypyridines
  • lactams
  • methylpyridines
  • n-alkylpyrrolidines
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • polyhalopyridines
  • pyrrolidine-2-ones
  • secondary alcohols
  • tertiary carboxylic acid amides
    • Substituents
  • aromatic alcohol
  • 2-pyrrolidone
  • phenol ether
  • carbonyl group
  • ether
  • lactam
  • polyhalopyridine
  • alkyl aryl ether
  • carboxylic acid derivative
  • organic oxide
  • aromatic heteropolycyclic compound
  • tertiary carboxylic acid amide
  • organonitrogen compound
  • organopnictogen compound
  • 2-halopyridine
  • pyrrolidine
  • pyrrolidone
  • alcohol
  • azacycle
  • n-alkylpyrrolidine
  • heteroaromatic compound
  • hydroxypyridine
  • methylpyridine
  • 4-quinolinemethanol
  • carboxamide group
  • pyridine
  • organic oxygen compound
  • anisole
  • secondary alcohol
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • organooxygen compound