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Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:39:58 UTC
Update Date2025-03-21 17:58:35 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00015356
Frequency283.2
Structure
Chemical FormulaC9H10O5
Molecular Mass198.0528
SMILESCOc1cc(OC)c(O)c(C(=O)O)c1
InChI KeyYDIHHJUFULIFNV-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass benzoic acids and derivatives
Direct Parent m-methoxybenzoic acids and derivatives
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-carboxy-2-haloaromatic compounds
  • 4-alkoxyphenols
  • alkyl aryl ethers
  • anisoles
  • benzoic acids
  • benzoyl derivatives
  • dimethoxybenzenes
  • hydrocarbon derivatives
  • methoxyphenols
  • monocarboxylic acids and derivatives
  • organic oxides
  • phenoxy compounds
  • salicylic acids
  • vinylogous acids
    • Substituents
  • phenol ether
  • ether
  • carboxylic acid
  • benzoyl
  • methoxyphenol
  • salicylic acid
  • alkyl aryl ether
  • carboxylic acid derivative
  • dimethoxybenzene
  • organic oxide
  • 1-carboxy-2-haloaromatic compound
  • benzoic acid
  • m-methoxybenzoic acid or derivatives
  • 4-alkoxyphenol
  • methoxybenzene
  • hydroxybenzoic acid
  • aromatic homomonocyclic compound
  • vinylogous acid
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • salicylic acid or derivatives
  • m-dimethoxybenzene
  • anisole
  • phenol
  • hydrocarbon derivative
  • phenoxy compound
  • organooxygen compound