Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:12:45 UTC
Update Date2025-03-25 00:58:23 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02230406
Frequency0.5
Structure
Chemical FormulaC12H17N3O
Molecular Mass219.1372
SMILESCCc1ccc2c(c1)C(O)CN(C(=N)N)C2
InChI KeyGRYMIIUUKDKVGR-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classtetrahydroisoquinolines
Subclass tetrahydroisoquinolines
Direct Parent tetrahydroisoquinolines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • azacyclic compounds
  • benzenoids
  • carboximidamides
  • guanidines
  • hydrocarbon derivatives
  • imines
  • organopnictogen compounds
  • secondary alcohols
  • Substituents
  • alcohol
  • azacycle
  • guanidine
  • imine
  • carboximidamide
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • tetrahydroisoquinoline
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • organooxygen compound