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Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:35:29 UTC
Update Date2025-03-21 17:57:00 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00004984
Frequency1096.4
Structure
Chemical FormulaC18H22O11
Molecular Mass414.1162
SMILESO=C1CCC(Cc2cc(O)c(OC3C(O)C(O)C(O)C(O)C3C(=O)O)c(O)c2)O1
InChI KeyOKLHOYMXHNEXGO-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenols
Subclass benzenediols
Direct Parent resorcinols
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • alkyl aryl ethers
  • beta hydroxy acids and derivatives
  • carbonyl compounds
  • carboxylic acid esters
  • carboxylic acids
  • cyclitols and derivatives
  • cyclohexanols
  • dicarboxylic acids and derivatives
  • gamma butyrolactones
  • hydrocarbon derivatives
  • organic oxides
  • oxacyclic compounds
  • phenol ethers
  • phenoxy compounds
  • tetrahydrofurans
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • carbonyl group
  • ether
  • carboxylic acid
  • aromatic heteromonocyclic compound
  • 1-hydroxy-2-unsubstituted benzenoid
  • alkyl aryl ether
  • carboxylic acid derivative
  • resorcinol
  • lactone
  • beta-hydroxy acid
  • organic oxide
  • organoheterocyclic compound
  • alcohol
  • tetrahydrofuran
  • cyclohexanol
  • cyclitol or derivatives
  • hydroxy acid
  • 1-hydroxy-4-unsubstituted benzenoid
  • cyclic alcohol
  • gamma butyrolactone
  • oxacycle
  • organic oxygen compound
  • carboxylic acid ester
  • secondary alcohol
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative
  • phenoxy compound
  • organooxygen compound