Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:52:47 UTC
Update Date2025-03-25 00:51:06 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02184785
Frequency0.5
Structure
Chemical FormulaC11H17N3O
Molecular Mass207.1372
SMILESN=C(N)NCCCCc1cccc(O)c1
InChI KeyDXKRBVQLXWPSIN-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass phenylbutylamines
Direct Parent phenylbutylamines
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • carboximidamides
  • guanidines
  • hydrocarbon derivatives
  • imines
  • organooxygen compounds
  • organopnictogen compounds
  • Substituents
  • guanidine
  • imine
  • 1-hydroxy-2-unsubstituted benzenoid
  • carboximidamide
  • 1-hydroxy-4-unsubstituted benzenoid
  • aromatic homomonocyclic compound
  • phenylbutylamine
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • phenol
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound