Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:16:24 UTC
Update Date2025-03-21 18:34:35 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00101518
Frequency26.9
Structure
Chemical FormulaC11H15N3O2
Molecular Mass221.1164
SMILESCOc1cc2c(cc1O)CN(C(=N)N)CC2
InChI KeyRPWNGVRGSJISEV-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classtetrahydroisoquinolines
Subclass tetrahydroisoquinolines
Direct Parent tetrahydroisoquinolines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • alkyl aryl ethers
  • anisoles
  • azacyclic compounds
  • carboximidamides
  • guanidines
  • hydrocarbon derivatives
  • imines
  • organopnictogen compounds
  • Substituents
  • phenol ether
  • ether
  • azacycle
  • guanidine
  • imine
  • 1-hydroxy-2-unsubstituted benzenoid
  • carboximidamide
  • alkyl aryl ether
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • anisole
  • organonitrogen compound
  • tetrahydroisoquinoline
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • organooxygen compound