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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:15:05 UTC
Update Date2025-03-25 00:59:13 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02235813
Frequency0.5
Structure
Chemical FormulaC12H15NO2
Molecular Mass205.1103
SMILESCOc1cc2c(cc1O)CC1CCNC21
InChI KeyJOXANTBTJZZIKG-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classindanes
Subclass indanes
Direct Parent indanes
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • alkyl aryl ethers
  • anisoles
  • azacyclic compounds
  • dialkylamines
  • hydrocarbon derivatives
  • organopnictogen compounds
  • pyrrolidines
    • Substituents
  • phenol ether
  • secondary aliphatic amine
  • ether
  • azacycle
  • 1-hydroxy-2-unsubstituted benzenoid
  • alkyl aryl ether
  • secondary amine
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • anisole
  • indane
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • pyrrolidine
  • organoheterocyclic compound
  • organooxygen compound
  • amine