Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:38:52 UTC
Update Date2025-03-25 00:46:05 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02153157
Frequency0.5
Structure
Chemical FormulaC11H13NO3
Molecular Mass207.0895
SMILESNC(=O)C1CCCc2cc(O)c(O)cc21
InChI KeyFOALZLWGSFEPHI-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classnaphthalenes
Subclass naphthalenecarboxylic acids and derivatives
Direct Parent naphthalenecarboxylic acids
Geometric Descriptor aromatic homopolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • carbonyl compounds
  • carboxylic acids and derivatives
  • hydrocarbon derivatives
  • naphthalenecarboxamides
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • primary carboxylic acid amides
  • tetralins
  • Substituents
  • primary carboxylic acid amide
  • tetralin
  • carbonyl group
  • 1-hydroxy-2-unsubstituted benzenoid
  • aromatic homopolycyclic compound
  • 1-naphthalenecarboxylic acid
  • carboxamide group
  • carboxylic acid derivative
  • 1-naphthalenecarboxamide
  • organic oxide
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound