Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:31:38 UTC
Update Date2025-03-21 18:42:08 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00137827
Frequency34.7
Structure
Chemical FormulaC12H19N3O
Molecular Mass221.1528
SMILESCN(C)C(=N)NCCC(O)c1ccccc1
InChI KeyKTLAYNZXFLQPAH-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass benzene and substituted derivatives
Direct Parent benzene and substituted derivatives
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • aromatic alcohols
  • carboximidamides
  • guanidines
  • hydrocarbon derivatives
  • imines
  • organopnictogen compounds
  • secondary alcohols
  • Substituents
  • aromatic alcohol
  • alcohol
  • monocyclic benzene moiety
  • guanidine
  • imine
  • carboximidamide
  • aromatic homomonocyclic compound
  • organic oxygen compound
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound