Hmdb loader

Showing information for DMID02242326

Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:17:58 UTC
Update Date2025-03-25 01:00:21 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02242326
Frequency0.5
Structure
Chemical FormulaC14H18O6S
Molecular Mass314.0824
SMILESCC(C)CCOC(=O)C=Cc1ccc(OS(=O)(=O)O)cc1
InChI KeyGFLRFRNSHHPTJN-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classcinnamic acids and derivatives
Subclass cinnamic acids and derivatives
Direct Parent cinnamic acids and derivatives
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • carbonyl compounds
  • enoate esters
  • fatty acid esters
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • phenoxy compounds
  • phenylsulfates
  • sulfuric acid monoesters
    • Substituents
  • enoate ester
  • fatty acyl
  • monocyclic benzene moiety
  • carbonyl group
  • sulfuric acid monoester
  • organic sulfuric acid or derivatives
  • carboxylic acid derivative
  • aromatic homomonocyclic compound
  • phenylsulfate
  • alpha,beta-unsaturated carboxylic ester
  • fatty acid ester
  • cinnamic acid or derivatives
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • carboxylic acid ester
  • sulfate-ester
  • hydrocarbon derivative
  • arylsulfate
  • benzenoid
  • phenoxy compound
  • sulfuric acid ester
  • organooxygen compound