Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:39:04 UTC
Update Date2025-03-25 00:46:10 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02153648
Frequency0.5
Structure
Chemical FormulaC11H18N2O2
Molecular Mass210.1368
SMILESCOc1ccc(CC(N)CN)cc1OC
InChI KeyQDTSSLVCXPJCCJ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass phenethylamines
Direct Parent methoxylated amphetamines
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • anisoles
  • dimethoxybenzenes
  • hydrocarbon derivatives
  • monoalkylamines
  • organonitrogen compounds
  • organopnictogen compounds
  • phenoxy compounds
  • Substituents
  • phenol ether
  • ether
  • methoxylated amphetamine
  • alkyl aryl ether
  • methoxybenzene
  • aromatic homomonocyclic compound
  • dimethoxybenzene
  • organic oxygen compound
  • anisole
  • o-dimethoxybenzene
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • phenoxy compound
  • organooxygen compound