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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:28:52 UTC
Update Date2025-03-21 18:40:51 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00131514
Frequency19.2
Structure
Chemical FormulaC11H13NO4
Molecular Mass223.0845
SMILESCOc1ccc(NC=O)c(CCC(=O)O)c1
InChI KeyLANMDZXRPXHIQW-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classphenylpropanoic acids
Subclass phenylpropanoic acids
Direct Parent phenylpropanoic acids
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • anilides
  • anisoles
  • carbonyl compounds
  • carboxylic acids
  • hydrocarbon derivatives
  • methoxybenzenes
  • monocarboxylic acids and derivatives
  • n-arylamides
  • organic oxides
  • organopnictogen compounds
  • phenoxy compounds
  • secondary carboxylic acid amides
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • carbonyl group
  • ether
  • carboxylic acid
  • 3-phenylpropanoic-acid
  • n-arylamide
  • alkyl aryl ether
  • carboxylic acid derivative
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • carboxamide group
  • methoxybenzene
  • aromatic homomonocyclic compound
  • anilide
  • secondary carboxylic acid amide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • anisole
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • phenoxy compound
  • organooxygen compound