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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:51:43 UTC
Update Date2025-03-25 00:50:41 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02182443
Frequency0.5
Structure
Chemical FormulaC10H15O7P
Molecular Mass278.0555
SMILESO=P(O)(O)OCC(O)C(O)Cc1ccccc1O
InChI KeyAKXRCCSTUMOZQY-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenols
Subclass 1-hydroxy-2-unsubstituted benzenoids
Direct Parent 1-hydroxy-2-unsubstituted benzenoids
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1,2-diols
  • 1-hydroxy-4-unsubstituted benzenoids
  • benzene and substituted derivatives
  • hydrocarbon derivatives
  • monoalkyl phosphates
  • organic oxides
  • secondary alcohols
    • Substituents
  • alcohol
  • monocyclic benzene moiety
  • 1-hydroxy-2-unsubstituted benzenoid
  • 1-hydroxy-4-unsubstituted benzenoid
  • aromatic homomonocyclic compound
  • organic oxide
  • organic oxygen compound
  • phosphoric acid ester
  • monoalkyl phosphate
  • secondary alcohol
  • hydrocarbon derivative
  • organic phosphoric acid derivative
  • alkyl phosphate
  • organooxygen compound
  • 1,2-diol