Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:00:38 UTC
Update Date2025-03-25 00:53:54 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02202696
Frequency0.5
Structure
Chemical FormulaC13H19NO2
Molecular Mass221.1416
SMILESC=C(C)NCCc1ccc(OC)c(OC)c1
InChI KeyUHORKICZROIRCH-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass methoxybenzenes
Direct Parent dimethoxybenzenes
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • anisoles
  • dialkylamines
  • hydrocarbon derivatives
  • organopnictogen compounds
  • phenoxy compounds
  • Substituents
  • phenol ether
  • secondary aliphatic amine
  • ether
  • alkyl aryl ether
  • secondary amine
  • aromatic homomonocyclic compound
  • dimethoxybenzene
  • organic oxygen compound
  • anisole
  • o-dimethoxybenzene
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • phenoxy compound
  • organooxygen compound
  • amine