Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 03:34:29 UTC
Update Date2025-03-21 22:50:44 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00567173
Frequency2.9
Structure
Chemical FormulaC7H12N2O
Molecular Mass140.095
SMILESCn1ccc(C(O)CN)c1
InChI KeySCMMUVJLKBEIBM-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrroles
Subclass substituted pyrroles
Direct Parent substituted pyrroles
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • aromatic alcohols
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • monoalkylamines
  • n-methylpyrroles
  • organonitrogen compounds
  • organopnictogen compounds
  • secondary alcohols
  • Substituents
  • aromatic alcohol
  • alcohol
  • n-methylpyrrole
  • aromatic heteromonocyclic compound
  • azacycle
  • heteroaromatic compound
  • substituted pyrrole
  • organic oxygen compound
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • organooxygen compound