Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:27:03 UTC
Update Date2025-03-21 18:39:46 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00127181
Frequency20.1
Structure
Chemical FormulaC13H13NO3
Molecular Mass231.0895
SMILESNC(Cc1cccc2c(O)cccc12)C(=O)O
InChI KeyLRMSTPCPEFWCPX-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classnaphthalenes
Subclass naphthols and derivatives
Direct Parent naphthols and derivatives
Geometric Descriptor aromatic homopolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • alpha amino acids
  • carbonyl compounds
  • carboxylic acids
  • hydrocarbon derivatives
  • monoalkylamines
  • monocarboxylic acids and derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • Substituents
  • carbonyl group
  • carboxylic acid
  • 1-hydroxy-2-unsubstituted benzenoid
  • aromatic homopolycyclic compound
  • alpha-amino acid or derivatives
  • 1-hydroxy-4-unsubstituted benzenoid
  • carboxylic acid derivative
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • organonitrogen compound
  • alpha-amino acid
  • organopnictogen compound
  • hydrocarbon derivative
  • 1-naphthol
  • primary aliphatic amine
  • organic nitrogen compound
  • organooxygen compound