Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:53:38 UTC
Update Date2025-03-25 00:51:25 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02186810
Frequency0.5
Structure
Chemical FormulaC13H17NO6
Molecular Mass283.1056
SMILESNCCc1ccc(O)c(OC(CCC(=O)O)C(=O)O)c1
InChI KeyQZFGNBLIJHKFCD-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass phenoxyacetic acid derivatives
Direct Parent phenoxyacetic acid derivatives
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • alkyl aryl ethers
  • carbonyl compounds
  • carboxylic acids
  • dicarboxylic acids and derivatives
  • hydrocarbon derivatives
  • monoalkylamines
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • phenol ethers
  • phenoxy compounds
  • Substituents
  • phenol ether
  • phenoxyacetate
  • carbonyl group
  • ether
  • carboxylic acid
  • 1-hydroxy-2-unsubstituted benzenoid
  • alkyl aryl ether
  • carboxylic acid derivative
  • aromatic homomonocyclic compound
  • organic oxide
  • organic oxygen compound
  • organonitrogen compound
  • dicarboxylic acid or derivatives
  • organopnictogen compound
  • phenol
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • phenoxy compound
  • organooxygen compound