Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:41:08 UTC
Update Date2025-03-25 00:46:56 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02158285
Frequency0.5
Structure
Chemical FormulaC12H17NO2
Molecular Mass207.1259
SMILESC=CC(Cc1ccc(O)c(OC)c1)NC
InChI KeyPJKIKSZJJOVBHE-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass phenethylamines
Direct Parent methoxylated amphetamines
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • alkyl aryl ethers
  • anisoles
  • dialkylamines
  • hydrocarbon derivatives
  • methoxybenzenes
  • methoxyphenols
  • organopnictogen compounds
  • phenoxy compounds
  • Substituents
  • phenol ether
  • secondary aliphatic amine
  • ether
  • methoxylated amphetamine
  • 1-hydroxy-2-unsubstituted benzenoid
  • methoxyphenol
  • alkyl aryl ether
  • secondary amine
  • methoxybenzene
  • aromatic homomonocyclic compound
  • organic oxygen compound
  • anisole
  • organonitrogen compound
  • organopnictogen compound
  • phenol
  • hydrocarbon derivative
  • organic nitrogen compound
  • phenoxy compound
  • organooxygen compound
  • amine