Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:56:44 UTC
Update Date2025-03-25 00:52:26 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02193757
Frequency0.5
Structure
Chemical FormulaC23H31NO
Molecular Mass337.2406
SMILESCN(C)CCCC1(c2ccccc2)OCc2cc(C(C)(C)C)ccc21
InChI KeyBOUPMHOTFDJGDW-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass phenylbutylamines
Direct Parent phenylbutylamines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • dialkyl ethers
  • hydrocarbon derivatives
  • isocoumarans
  • organopnictogen compounds
  • oxacyclic compounds
  • trialkylamines
  • Substituents
  • ether
  • tertiary aliphatic amine
  • dialkyl ether
  • oxacycle
  • phenylbutylamine
  • isocoumaran
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • amine
  • tertiary amine
  • organoheterocyclic compound
  • organooxygen compound