Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:41:28 UTC
Update Date2025-03-21 17:59:04 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00018595
Frequency222.2
Structure
Chemical FormulaC10H15NO
Molecular Mass165.1154
SMILESCNCC(O)Cc1ccccc1
InChI KeyQKDPDTZVDBRIFG-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
  • dialkylamines
  • hydrocarbon derivatives
  • organopnictogen compounds
  • secondary alcohols
  • Substituents
  • alcohol
  • secondary aliphatic amine
  • monocyclic benzene moiety
  • secondary amine
  • aromatic homomonocyclic compound
  • organic oxygen compound
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound
  • amine