Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:53:42 UTC
Update Date2025-03-25 00:51:26 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02186951
Frequency0.5
Structure
Chemical FormulaC9H13NO
Molecular Mass151.0997
SMILESNCc1cccc(CCO)c1
InChI KeyCSSOUAZPKJJPNE-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass benzene and substituted derivatives
Direct Parent benzene and substituted derivatives
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • alcohols and polyols
  • hydrocarbon derivatives
  • monoalkylamines
  • organonitrogen compounds
  • organopnictogen compounds
  • Substituents
  • alcohol
  • aromatic homomonocyclic compound
  • monocyclic benzene moiety
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • organooxygen compound