Hmdb loader

Showing information for DMID00106801

Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:18:33 UTC
Update Date2025-03-21 18:35:41 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00106801
Frequency25.2
Structure
Chemical FormulaC18H21NO2
Molecular Mass283.1572
SMILESCOc1ccc2c(c1)CCN(C)C2Cc1cccc(O)c1
InChI KeyOHMBXUXRZAAFGN-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classisoquinolines and derivatives
Subclass benzylisoquinolines
Direct Parent benzylisoquinolines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • alkyl aryl ethers
  • anisoles
  • aralkylamines
  • azacyclic compounds
  • benzene and substituted derivatives
  • hydrocarbon derivatives
  • organopnictogen compounds
  • tetrahydroisoquinolines
  • trialkylamines
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • ether
  • 1-hydroxy-2-unsubstituted benzenoid
  • alkyl aryl ether
  • aralkylamine
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • tetrahydroisoquinoline
  • organopnictogen compound
  • tertiary amine
  • azacycle
  • tertiary aliphatic amine
  • 1-hydroxy-4-unsubstituted benzenoid
  • benzylisoquinoline
  • organic oxygen compound
  • anisole
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • amine
  • organooxygen compound