Hmdb loader

Showing information for DMID02207693

Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:02:49 UTC
Update Date2025-03-25 00:54:39 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02207693
Frequency0.5
Structure
Chemical FormulaC19H28O14S
Molecular Mass512.12
SMILESO=C(CCC(O)Cc1ccc(O)c(O)c1)OCOC1C(O)C(O)C(O)C(O)C1COS(=O)(=O)O
InChI KeyZQJZFYVZXFCTPH-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
  • acetals
  • alkyl sulfates
  • benzene and substituted derivatives
  • carbonyl compounds
  • carboxylic acid esters
  • cyclitols and derivatives
  • fatty acid esters
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • sulfuric acid monoesters
    • Substituents
  • fatty acyl
  • monocyclic benzene moiety
  • sulfuric acid monoester
  • carbonyl group
  • 1-hydroxy-2-unsubstituted benzenoid
  • carboxylic acid derivative
  • organic oxide
  • acetal
  • alkyl sulfate
  • organic sulfuric acid or derivatives
  • cyclohexanol
  • cyclitol or derivatives
  • 1-hydroxy-4-unsubstituted benzenoid
  • cyclic alcohol
  • aromatic homomonocyclic compound
  • fatty acid ester
  • monocarboxylic acid or derivatives
  • carboxylic acid ester
  • sulfate-ester
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • sulfuric acid ester