Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:05:20 UTC
Update Date2025-03-25 00:55:41 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02213714
Frequency0.5
Structure
Chemical FormulaC11H15NO
Molecular Mass177.1154
SMILESCNC1CCC1(O)c1ccccc1
InChI KeyFJCFALFCSKGKQE-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
  • cyclic alcohols and derivatives
  • dialkylamines
  • hydrocarbon derivatives
  • organopnictogen compounds
  • tertiary alcohols
  • Substituents
  • alcohol
  • secondary aliphatic amine
  • monocyclic benzene moiety
  • secondary amine
  • aromatic homomonocyclic compound
  • tertiary alcohol
  • organic oxygen compound
  • cyclobutanol
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound
  • amine