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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:40:17 UTC
Update Date2025-03-25 00:46:39 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02156458
Frequency0.5
Structure
Chemical FormulaC11H15NO4
Molecular Mass225.1001
SMILESCc1c(C)c(O)c(CC(=O)O)c(CN)c1O
InChI KeyOLDQYOISNXQCKH-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass phenylacetic acids
Direct Parent 2(hydroxyphenyl)acetic acids
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • carbonyl compounds
  • carboxylic acids
  • hydrocarbon derivatives
  • hydroquinones
  • meta cresols
  • monoalkylamines
  • monocarboxylic acids and derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • ortho cresols
  • phenols
  • o-xylenes
    • Substituents
  • carbonyl group
  • carboxylic acid
  • m-cresol
  • carboxylic acid derivative
  • hydroquinone
  • aromatic homomonocyclic compound
  • xylene
  • organic oxide
  • monocarboxylic acid or derivatives
  • o-xylene
  • organic oxygen compound
  • o-cresol
  • organonitrogen compound
  • organopnictogen compound
  • phenol
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • organooxygen compound
  • 2(hydroxyphenyl)acetic acid