Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:05:13 UTC
Update Date2025-03-25 00:55:38 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02213443
Frequency0.5
Structure
Chemical FormulaC14H20N2O2
Molecular Mass248.1525
SMILESCN(CCCC1(c2ccccc2)CCCO1)N=O
InChI KeyKAHSTSYJNSOOES-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass phenylbutylamines
Direct Parent phenylbutylamines
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • dialkyl ethers
  • hydrocarbon derivatives
  • organic n-nitroso compounds
  • organic oxides
  • organopnictogen compounds
  • oxacyclic compounds
  • tetrahydrofurans
  • Substituents
  • organic nitroso compound
  • ether
  • aromatic heteromonocyclic compound
  • tetrahydrofuran
  • dialkyl ether
  • oxacycle
  • organic n-nitroso compound
  • organic oxide
  • phenylbutylamine
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organoheterocyclic compound
  • organooxygen compound