Hmdb loader

Showing information for DMID02176802

Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:49:15 UTC
Update Date2025-03-25 00:49:48 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02176802
Frequency0.5
Structure
Chemical FormulaC12H17NO2
Molecular Mass207.1259
SMILESCOc1cc(O)cc(CC2CCCN2)c1
InChI KeyGRPMBACPHGCPLC-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenols
Subclass methoxyphenols
Direct Parent methoxyphenols
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • alkyl aryl ethers
  • anisoles
  • azacyclic compounds
  • dialkylamines
  • hydrocarbon derivatives
  • methoxybenzenes
  • organopnictogen compounds
  • phenoxy compounds
  • pyrrolidines
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • ether
  • aromatic heteromonocyclic compound
  • methoxyphenol
  • 1-hydroxy-2-unsubstituted benzenoid
  • alkyl aryl ether
  • organonitrogen compound
  • organopnictogen compound
  • pyrrolidine
  • organoheterocyclic compound
  • secondary aliphatic amine
  • azacycle
  • 1-hydroxy-4-unsubstituted benzenoid
  • secondary amine
  • methoxybenzene
  • organic oxygen compound
  • anisole
  • hydrocarbon derivative
  • organic nitrogen compound
  • phenoxy compound
  • organooxygen compound
  • amine