Hmdb loader

Showing information for DMID00117213

Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:22:50 UTC
Update Date2025-03-21 18:37:47 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00117213
Frequency22.4
Structure
Chemical FormulaC15H14O6S
Molecular Mass322.0511
SMILESO=C(CCc1ccc(O)cc1)c1ccc(OS(=O)(=O)O)cc1
InChI KeyFZGZJUGIASRLNY-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classlinear 1,3-diarylpropanoids
Subclass chalcones and dihydrochalcones
Direct Parent retro-dihydrochalcones
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • alkyl-phenylketones
  • aryl alkyl ketones
  • benzoyl derivatives
  • butyrophenones
  • cinnamylphenols
  • hydrocarbon derivatives
  • organic oxides
  • organooxygen compounds
  • phenoxy compounds
  • phenylsulfates
  • sulfuric acid monoesters
    • Substituents
  • monocyclic benzene moiety
  • sulfuric acid monoester
  • aryl alkyl ketone
  • benzoyl
  • 1-hydroxy-2-unsubstituted benzenoid
  • cinnamylphenol
  • retro-dihydrochalcone
  • ketone
  • phenylsulfate
  • organic oxide
  • arylsulfate
  • organic sulfuric acid or derivatives
  • phenylketone
  • butyrophenone
  • aromatic homomonocyclic compound
  • organic oxygen compound
  • sulfate-ester
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • phenoxy compound
  • sulfuric acid ester
  • alkyl-phenylketone
  • organooxygen compound
  • aryl ketone