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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:49:07 UTC
Update Date2025-03-25 00:49:46 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02176492
Frequency0.5
Structure
Chemical FormulaC13H17NO3
Molecular Mass235.1208
SMILESCOc1cc2c(cc1OC(C)=O)CN(C)CC2
InChI KeyRIRZWXBUYOPXNJ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classtetrahydroisoquinolines
Subclass tetrahydroisoquinolines
Direct Parent tetrahydroisoquinolines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • amino acids and derivatives
  • anisoles
  • aralkylamines
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acid esters
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • organopnictogen compounds
  • trialkylamines
    • Substituents
  • phenol ether
  • carbonyl group
  • ether
  • amino acid or derivatives
  • alkyl aryl ether
  • carboxylic acid derivative
  • aralkylamine
  • organic oxide
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • tetrahydroisoquinoline
  • organopnictogen compound
  • tertiary amine
  • azacycle
  • tertiary aliphatic amine
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • anisole
  • carboxylic acid ester
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • amine
  • organooxygen compound