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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:51:24 UTC
Update Date2025-03-25 00:50:34 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02181719
Frequency0.5
Structure
Chemical FormulaC17H22O9
Molecular Mass370.1264
SMILESO=C(O)C1(O)CC(O)C(OC(C=Cc2ccc(O)c(O)c2)CO)C(O)C1
InChI KeyBDLFBEDHJGKIQL-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass alcohols and polyols
Direct Parent quinic acids and derivatives
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • alpha hydroxy acids and derivatives
  • benzene and substituted derivatives
  • carbonyl compounds
  • carboxylic acids
  • cyclohexanols
  • dialkyl ethers
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • primary alcohols
  • tertiary alcohols
  • Substituents
  • monocyclic benzene moiety
  • carbonyl group
  • ether
  • carboxylic acid
  • alpha-hydroxy acid
  • 1-hydroxy-2-unsubstituted benzenoid
  • carboxylic acid derivative
  • dialkyl ether
  • organic oxide
  • primary alcohol
  • cyclohexanol
  • hydroxy acid
  • 1-hydroxy-4-unsubstituted benzenoid
  • aromatic homomonocyclic compound
  • tertiary alcohol
  • monocarboxylic acid or derivatives
  • secondary alcohol
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • quinic acid