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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:21:21 UTC
Update Date2025-03-25 01:01:34 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02250194
Frequency0.5
Structure
Chemical FormulaC12H14O7
Molecular Mass270.074
SMILESO=C(O)c1ccccc1OCC1OC(O)C(O)C1O
InChI KeyRNNVEGVKSKQLCT-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass benzoic acids and derivatives
Direct Parent benzoic acids
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 1,2-diols
  • 1-carboxy-2-haloaromatic compounds
  • alkyl aryl ethers
  • benzoyl derivatives
  • hemiacetals
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • monosaccharides
  • organic oxides
  • oxacyclic compounds
  • phenol ethers
  • phenoxy compounds
  • secondary alcohols
  • tetrahydrofurans
    • Substituents
  • phenol ether
  • ether
  • carboxylic acid
  • aromatic heteromonocyclic compound
  • benzoyl
  • monosaccharide
  • alkyl aryl ether
  • carboxylic acid derivative
  • saccharide
  • organic oxide
  • hemiacetal
  • 1-carboxy-2-haloaromatic compound
  • benzoic acid
  • organoheterocyclic compound
  • 1,2-diol
  • alcohol
  • tetrahydrofuran
  • oxacycle
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • secondary alcohol
  • hydrocarbon derivative
  • phenoxy compound
  • organooxygen compound