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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:02:49 UTC
Update Date2025-03-25 00:54:39 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02207694
Frequency0.5
Structure
Chemical FormulaC18H27O14P
Molecular Mass498.1138
SMILESO=C(CCC(O)Cc1ccc(O)c(O)c1)OCOC1C(O)C(O)C(O)C(OP(=O)(O)O)C1O
InChI KeyWKBUJOZCCORCHE-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass alcohols and polyols
Direct Parent inositol phosphates
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • acetals
  • benzene and substituted derivatives
  • carbonyl compounds
  • carboxylic acid esters
  • cyclohexanols
  • 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
  • inositol phosphate
  • carboxylic acid derivative
  • organic oxide
  • acetal
  • cyclohexanol
  • 1-hydroxy-4-unsubstituted benzenoid
  • aromatic homomonocyclic compound
  • fatty acid ester
  • monocarboxylic acid or derivatives
  • phosphoric acid ester
  • monoalkyl phosphate
  • carboxylic acid ester
  • secondary alcohol
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • organic phosphoric acid derivative
  • alkyl phosphate