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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:40:27 UTC
Update Date2025-03-25 00:46:42 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02156792
Frequency0.5
Structure
Chemical FormulaC15H20O8
Molecular Mass328.1158
SMILESO=C(OC1CC(O)C(O)C(O)C1O)C(O)Cc1cccc(O)c1
InChI KeyBSXXNADILVAPKW-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass alcohols and polyols
Direct Parent cyclohexanols
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • benzene and substituted derivatives
  • carbonyl compounds
  • carboxylic acid esters
  • cyclitols and derivatives
  • fatty acid esters
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
    • Substituents
  • fatty acyl
  • monocyclic benzene moiety
  • carbonyl group
  • cyclohexanol
  • 1-hydroxy-2-unsubstituted benzenoid
  • cyclitol or derivatives
  • 1-hydroxy-4-unsubstituted benzenoid
  • cyclic alcohol
  • carboxylic acid derivative
  • aromatic homomonocyclic compound
  • fatty acid ester
  • organic oxide
  • monocarboxylic acid or derivatives
  • carboxylic acid ester
  • phenol
  • hydrocarbon derivative
  • benzenoid