Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 05:23:35 UTC
Update Date2025-03-24 14:18:25 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00827431
Frequency1.8
Structure
Chemical FormulaC8H13NO
Molecular Mass139.0997
SMILESCc1ccc(CCO)n1C
InChI KeyXBJKBCOEQNDMNW-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrroles
Subclass substituted pyrroles
Direct Parent substituted pyrroles
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • alcohols and polyols
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • n-methylpyrroles
  • organonitrogen compounds
  • organopnictogen compounds
  • Substituents
  • alcohol
  • n-methylpyrrole
  • aromatic heteromonocyclic compound
  • azacycle
  • heteroaromatic compound
  • substituted pyrrole
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound