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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:20:50 UTC
Update Date2025-03-25 01:01:24 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02248997
Frequency0.5
Structure
Chemical FormulaC12H12O7
Molecular Mass268.0583
SMILESCOc1ccc(O)c(C(=O)CC(C(=O)O)C(=O)O)c1
InChI KeyMDYHIFZTNAPBCM-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent alkyl-phenylketones
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1,3-dicarbonyl compounds
  • 1-hydroxy-2-unsubstituted benzenoids
  • 4-alkoxyphenols
  • alkyl aryl ethers
  • anisoles
  • aryl alkyl ketones
  • benzoyl derivatives
  • butyrophenones
  • carboxylic acids
  • dicarboxylic acids and derivatives
  • gamma-keto acids and derivatives
  • hydrocarbon derivatives
  • methoxybenzenes
  • methoxyphenols
  • organic oxides
  • phenoxy compounds
  • vinylogous acids
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • ether
  • carboxylic acid
  • aryl alkyl ketone
  • benzoyl
  • methoxyphenol
  • 1-hydroxy-2-unsubstituted benzenoid
  • alkyl aryl ether
  • carboxylic acid derivative
  • organic oxide
  • 4-alkoxyphenol
  • methoxybenzene
  • gamma-keto acid
  • butyrophenone
  • aromatic homomonocyclic compound
  • vinylogous acid
  • anisole
  • keto acid
  • dicarboxylic acid or derivatives
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • 1,3-dicarbonyl compound
  • phenoxy compound
  • alkyl-phenylketone