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Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:47:29 UTC
Update Date2025-03-21 18:01:22 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00032497
Frequency112.3
Structure
Chemical FormulaC18H26O12
Molecular Mass434.1424
SMILESO=C(CCC(O)Cc1cc(O)c(O)c(O)c1)OCOC1C(O)C(O)C(O)C(O)C1O
InChI KeyRROAEZAXMCVTSI-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenols
Subclass benzenetriols and derivatives
Direct Parent pyrogallols and derivatives
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • acetals
  • benzene and substituted derivatives
  • carbonyl compounds
  • carboxylic acid esters
  • cyclitols and derivatives
  • cyclohexanols
  • fatty acid esters
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
    • Substituents
  • fatty acyl
  • monocyclic benzene moiety
  • carbonyl group
  • 1-hydroxy-2-unsubstituted benzenoid
  • carboxylic acid derivative
  • organic oxide
  • acetal
  • alcohol
  • pyrogallol derivative
  • cyclohexanol
  • cyclitol or derivatives
  • 1-hydroxy-4-unsubstituted benzenoid
  • cyclic alcohol
  • aromatic homomonocyclic compound
  • fatty acid ester
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • carboxylic acid ester
  • secondary alcohol
  • hydrocarbon derivative
  • organooxygen compound