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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:43:12 UTC
Update Date2025-03-25 00:47:36 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02162883
Frequency0.5
Structure
Chemical FormulaC10H11O7P
Molecular Mass274.0242
SMILESO=C(C=Cc1ccc(O)cc1)OCOP(=O)(O)O
InChI KeyBKQJDSXTKUUJDC-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classcinnamic acids and derivatives
Subclass hydroxycinnamic acids and derivatives
Direct Parent hydroxycinnamic acids
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • benzene and substituted derivatives
  • carbonyl compounds
  • enoate esters
  • fatty acid esters
  • hydrocarbon derivatives
  • monoalkyl phosphates
  • monocarboxylic acids and derivatives
  • organic oxides
  • Substituents
  • fatty acyl
  • monocyclic benzene moiety
  • carbonyl group
  • 1-hydroxy-2-unsubstituted benzenoid
  • carboxylic acid derivative
  • alpha,beta-unsaturated carboxylic ester
  • organic oxide
  • enoate ester
  • hydroxycinnamic acid
  • aromatic homomonocyclic compound
  • fatty acid ester
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • phosphoric acid ester
  • monoalkyl phosphate
  • carboxylic acid ester
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • organic phosphoric acid derivative
  • alkyl phosphate
  • organooxygen compound