Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:01:45 UTC
Update Date2025-03-25 00:54:16 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02205258
Frequency0.5
Structure
Chemical FormulaC16H17NO
Molecular Mass239.131
SMILESNCC1CC(c2ccc(O)cc2)c2ccccc21
InChI KeyAHDGIHLTNHAKGX-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classindanes
Subclass indanes
Direct Parent indanes
Geometric Descriptor aromatic homopolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • benzene and substituted derivatives
  • hydrocarbon derivatives
  • monoalkylamines
  • organonitrogen compounds
  • organooxygen compounds
  • organopnictogen compounds
  • Substituents
  • monocyclic benzene moiety
  • 1-hydroxy-2-unsubstituted benzenoid
  • aromatic homopolycyclic compound
  • organic oxygen compound
  • indane
  • organonitrogen compound
  • organopnictogen compound
  • phenol
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • organooxygen compound