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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:21:57 UTC
Update Date2025-03-21 18:37:18 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00115064
Frequency22.9
Structure
Chemical FormulaC16H22O10
Molecular Mass374.1213
SMILESCOc1cc(C(O)CO)ccc1OC1C(O)C(O)C(O)C(C(=O)O)C1O
InChI KeyQBNNOKGWOSVHQN-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenol ethers
Subclass anisoles
Direct Parent anisoles
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • aromatic alcohols
  • beta hydroxy acids and derivatives
  • carbonyl compounds
  • carboxylic acids
  • cyclitols and derivatives
  • cyclohexanols
  • hydrocarbon derivatives
  • methoxybenzenes
  • monocarboxylic acids and derivatives
  • organic oxides
  • phenoxy compounds
  • primary alcohols
  • Substituents
  • aromatic alcohol
  • monocyclic benzene moiety
  • carbonyl group
  • ether
  • carboxylic acid
  • alkyl aryl ether
  • carboxylic acid derivative
  • beta-hydroxy acid
  • organic oxide
  • primary alcohol
  • alcohol
  • cyclohexanol
  • cyclitol or derivatives
  • hydroxy acid
  • cyclic alcohol
  • methoxybenzene
  • aromatic homomonocyclic compound
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • anisole
  • secondary alcohol
  • hydrocarbon derivative
  • phenoxy compound
  • organooxygen compound