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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:21:02 UTC
Update Date2025-03-21 18:36:52 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00112827
Frequency23.5
Structure
Chemical FormulaC9H11NO2
Molecular Mass165.079
SMILESNC1CCc2cc(O)c(O)cc21
InChI KeyILRFJKUKVNAEFA-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
  • hydrocarbon derivatives
  • monoalkylamines
  • organonitrogen compounds
  • organooxygen compounds
  • organopnictogen compounds
    • Substituents
  • organic oxygen compound
  • indane
  • organonitrogen compound
  • 1-hydroxy-2-unsubstituted benzenoid
  • organopnictogen compound
  • aromatic homopolycyclic compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • organooxygen compound