Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:43:56 UTC
Update Date2025-03-25 00:47:51 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02164555
Frequency0.5
Structure
Chemical FormulaC9H12N2O3
Molecular Mass196.0848
SMILESCC(Oc1cccc(N)c1N)C(=O)O
InChI KeyPOJCPAXSCYWCHP-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass 2-phenoxypropionic acids
Direct Parent 2-phenoxypropionic acids
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • amino acids
  • carbonyl compounds
  • carboxylic acids
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • organopnictogen compounds
  • phenol ethers
  • phenoxy compounds
  • phenoxyacetic acid derivatives
  • primary amines
  • Substituents
  • phenol ether
  • phenoxyacetate
  • carbonyl group
  • ether
  • carboxylic acid
  • amino acid or derivatives
  • amino acid
  • alkyl aryl ether
  • carboxylic acid derivative
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • 2-phenoxypropionic acid
  • aromatic homomonocyclic compound
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • hydrocarbon derivative
  • primary amine
  • organic nitrogen compound
  • phenoxy compound
  • amine
  • organooxygen compound