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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:09:48 UTC
Update Date2025-03-25 00:57:19 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02224031
Frequency0.5
Structure
Chemical FormulaC18H25ClO11
Molecular Mass452.1085
SMILESO=C(CCC(O)Cc1cc(O)cc(O)c1)OCOC1OC(C(O)O)C(O)C(O)C1Cl
InChI KeyMUBAKFCIAVHAFB-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
  • acetals
  • alkyl chlorides
  • benzene and substituted derivatives
  • carbonyl compounds
  • carbonyl hydrates
  • carboxylic acid esters
  • chlorohydrins
  • fatty acid esters
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • monosaccharides
  • organic oxides
  • organochlorides
  • oxacyclic compounds
  • oxanes
  • secondary alcohols
    • Substituents
  • fatty acyl
  • monocyclic benzene moiety
  • carbonyl group
  • chlorohydrin
  • carbonyl hydrate
  • aromatic heteromonocyclic compound
  • alkyl chloride
  • organochloride
  • 1-hydroxy-2-unsubstituted benzenoid
  • monosaccharide
  • carboxylic acid derivative
  • organohalogen compound
  • resorcinol
  • saccharide
  • organic oxide
  • acetal
  • alkyl halide
  • oxane
  • organoheterocyclic compound
  • alcohol
  • halohydrin
  • 1-hydroxy-4-unsubstituted benzenoid
  • oxacycle
  • fatty acid ester
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • carboxylic acid ester
  • secondary alcohol
  • hydrocarbon derivative
  • organooxygen compound