Hmdb loader

Showing information for DMID02198218

Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:58:41 UTC
Update Date2025-03-25 00:53:09 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02198218
Frequency0.5
Structure
Chemical FormulaC19H16O7S
Molecular Mass388.0617
SMILESO=C(CCc1ccc(OS(=O)(=O)O)cc1)c1c(O)cc(O)c2ccccc12
InChI KeyQDVWATDLQNMNCO-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classlinear 1,3-diarylpropanoids
Subclass chalcones and dihydrochalcones
Direct Parent 2'-hydroxy-dihydrochalcones
Geometric Descriptor aromatic homopolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • aryl alkyl ketones
  • butyrophenones
  • hydrocarbon derivatives
  • naphthols and derivatives
  • organic oxides
  • organooxygen compounds
  • phenoxy compounds
  • phenylsulfates
  • sulfuric acid monoesters
  • vinylogous acids
    • Substituents
  • monocyclic benzene moiety
  • sulfuric acid monoester
  • 2'-hydroxy-dihydrochalcone
  • aryl alkyl ketone
  • 1-hydroxy-2-unsubstituted benzenoid
  • ketone
  • phenylsulfate
  • organic oxide
  • arylsulfate
  • 2-naphthol
  • organic sulfuric acid or derivatives
  • aromatic homopolycyclic compound
  • butyrophenone
  • vinylogous acid
  • naphthalene
  • organic oxygen compound
  • sulfate-ester
  • hydrocarbon derivative
  • 1-naphthol
  • benzenoid
  • phenoxy compound
  • sulfuric acid ester
  • organooxygen compound
  • aryl ketone