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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:57:14 UTC
Update Date2025-03-25 00:52:36 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02194857
Frequency0.5
Structure
Chemical FormulaC13H17NO3
Molecular Mass235.1208
SMILESCCOC(=O)N1CCc2cc(OC)ccc2C1
InChI KeyYFLQYYQJDMMDBZ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classtetrahydroisoquinolines
Subclass tetrahydroisoquinolines
Direct Parent tetrahydroisoquinolines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • anisoles
  • azacyclic compounds
  • carbamate esters
  • carbonyl compounds
  • hydrocarbon derivatives
  • organic carbonic acids and derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
    • Substituents
  • phenol ether
  • carbonyl group
  • ether
  • carbonic acid derivative
  • azacycle
  • carbamic acid ester
  • alkyl aryl ether
  • organic oxide
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • anisole
  • organonitrogen compound
  • tetrahydroisoquinoline
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • organooxygen compound