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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:23:06 UTC
Update Date2025-03-21 18:37:54 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00117885
Frequency22.2
Structure
Chemical FormulaC11H13N3O2
Molecular Mass219.1008
SMILESN=C(N)N1CCc2ccccc2C1C(=O)O
InChI KeyDHRDZZHSRKEOCH-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classtetrahydroisoquinolines
Subclass tetrahydroisoquinolines
Direct Parent tetrahydroisoquinolines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • alpha amino acids
  • azacyclic compounds
  • benzenoids
  • carbonyl compounds
  • carboximidamides
  • carboxylic acids
  • guanidines
  • hydrocarbon derivatives
  • imines
  • monocarboxylic acids and derivatives
  • organic oxides
  • organopnictogen compounds
    • Substituents
  • carbonyl group
  • carboxylic acid
  • azacycle
  • guanidine
  • imine
  • alpha-amino acid or derivatives
  • carboximidamide
  • carboxylic acid derivative
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • tetrahydroisoquinoline
  • alpha-amino acid
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • organooxygen compound