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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:01:43 UTC
Update Date2025-03-25 00:54:16 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02205193
Frequency0.5
Structure
Chemical FormulaC10H11NO2
Molecular Mass177.079
SMILESNC1C(=O)CCc2cc(O)ccc21
InChI KeyDJSXNFXPRRQVIZ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classtetralins
Subclass tetralins
Direct Parent tetralins
Geometric Descriptor aromatic homopolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • cyclic ketones
  • hydrocarbon derivatives
  • monoalkylamines
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
    • Substituents
  • tetralin
  • carbonyl group
  • 1-hydroxy-2-unsubstituted benzenoid
  • aromatic homopolycyclic compound
  • cyclic ketone
  • ketone
  • organic oxide
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • organooxygen compound