Hmdb loader

Showing information for DMID00008698

Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:37:06 UTC
Update Date2025-03-21 17:57:34 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00008698
Frequency561.6
Structure
Chemical FormulaC12H15NO2
Molecular Mass205.1103
SMILESCOc1ccc(C2CCC(=O)N2C)cc1
InChI KeyBVYFGJIPJICCTH-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrrolidines
Subclass phenylpyrrolidines
Direct Parent phenylpyrrolidines
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • anisoles
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids and derivatives
  • hydrocarbon derivatives
  • lactams
  • methoxybenzenes
  • n-alkylpyrrolidines
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • phenoxy compounds
  • pyrroles
  • pyrrolidine-2-ones
  • tertiary carboxylic acid amides
    • Substituents
  • 2-pyrrolidone
  • phenol ether
  • monocyclic benzene moiety
  • carbonyl group
  • ether
  • lactam
  • aromatic heteromonocyclic compound
  • alkyl aryl ether
  • carboxylic acid derivative
  • organic oxide
  • tertiary carboxylic acid amide
  • organonitrogen compound
  • organopnictogen compound
  • pyrrolidone
  • azacycle
  • n-alkylpyrrolidine
  • 2-phenylpyrrolidine
  • carboxamide group
  • methoxybenzene
  • organic oxygen compound
  • anisole
  • pyrrole
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • phenoxy compound
  • organooxygen compound