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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:01:29 UTC
Update Date2025-03-25 00:54:11 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02204669
Frequency0.5
Structure
Chemical FormulaC12H14O7
Molecular Mass270.074
SMILESO=C1OC(CO)C(O)C(O)C1Oc1cccc(O)c1
InChI KeyVHOLHWZKVWVHAJ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbohydrates and carbohydrate conjugates
Direct Parent gluconolactones
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • alkyl aryl ethers
  • carbonyl compounds
  • carboxylic acid esters
  • delta valerolactones
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • monosaccharides
  • organic oxides
  • oxacyclic compounds
  • oxanes
  • phenol ethers
  • phenoxy compounds
  • primary alcohols
  • secondary alcohols
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • carbonyl group
  • ether
  • aromatic heteromonocyclic compound
  • delta valerolactone
  • 1-hydroxy-2-unsubstituted benzenoid
  • alkyl aryl ether
  • carboxylic acid derivative
  • lactone
  • organic oxide
  • gluconolactone
  • oxane
  • primary alcohol
  • delta_valerolactone
  • organoheterocyclic compound
  • alcohol
  • 1-hydroxy-4-unsubstituted benzenoid
  • oxacycle
  • monocarboxylic acid or derivatives
  • carboxylic acid ester
  • secondary alcohol
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • phenoxy compound