Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:37:41 UTC
Update Date2025-03-25 00:45:39 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02150380
Frequency0.5
Structure
Chemical FormulaC16H17N
Molecular Mass223.1361
SMILESNCC1(c2ccccc2)Cc2ccccc2C1
InChI KeyJRBDFCZXPFKCOY-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classindanes
Subclass indanes
Direct Parent indanes
Geometric Descriptor aromatic homopolycyclic compounds
Alternative Parents
  • benzene and substituted derivatives
  • hydrocarbon derivatives
  • monoalkylamines
  • organonitrogen compounds
  • organopnictogen compounds
  • Substituents
  • monocyclic benzene moiety
  • indane
  • organonitrogen compound
  • organopnictogen compound
  • aromatic homopolycyclic compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound