Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:47:05 UTC
Update Date2025-03-25 00:49:04 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02171792
Frequency0.5
Structure
Chemical FormulaC20H27NO2
Molecular Mass313.2042
SMILESCN(C)CCCC(COC(O)c1ccccc1)c1ccccc1
InChI KeyBTPLQWRJUVWLTL-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass phenylbutylamines
Direct Parent phenylbutylamines
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • aromatic alcohols
  • benzylethers
  • hemiacetals
  • hydrocarbon derivatives
  • organooxygen compounds
  • organopnictogen compounds
  • trialkylamines
  • Substituents
  • aromatic alcohol
  • benzylether
  • tertiary aliphatic amine
  • aromatic homomonocyclic compound
  • phenylbutylamine
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • hemiacetal
  • hydrocarbon derivative
  • organic nitrogen compound
  • amine
  • tertiary amine
  • organooxygen compound