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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:49:43 UTC
Update Date2025-03-25 00:49:58 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02177912
Frequency0.5
Structure
Chemical FormulaC11H13NO5
Molecular Mass239.0794
SMILESCOc1cc(C(CC(N)=O)C(=O)O)ccc1O
InChI KeyAMBPOCOTBUQCDD-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenols
Subclass methoxyphenols
Direct Parent methoxyphenols
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • alkyl aryl ethers
  • anisoles
  • carbonyl compounds
  • carboxylic acids
  • fatty amides
  • hydrocarbon derivatives
  • methoxybenzenes
  • monocarboxylic acids and derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • phenoxy compounds
  • primary carboxylic acid amides
    • Substituents
  • primary carboxylic acid amide
  • fatty acyl
  • phenol ether
  • monocyclic benzene moiety
  • carbonyl group
  • ether
  • carboxylic acid
  • fatty amide
  • 1-hydroxy-2-unsubstituted benzenoid
  • methoxyphenol
  • alkyl aryl ether
  • carboxylic acid derivative
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • carboxamide group
  • methoxybenzene
  • aromatic homomonocyclic compound
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • anisole
  • hydrocarbon derivative
  • organic nitrogen compound
  • phenoxy compound
  • organooxygen compound