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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:15:22 UTC
Update Date2025-03-21 18:34:03 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00098959
Frequency27.8
Structure
Chemical FormulaC12H17O10P
Molecular Mass352.0559
SMILESO=P(O)(O)OCC1OC(Oc2ccccc2O)C(O)C(O)C1O
InChI KeyNCQJTKYLQWRAQP-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbohydrates and carbohydrate conjugates
Direct Parent hexose phosphates
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • acetals
  • hydrocarbon derivatives
  • monoalkyl phosphates
  • monosaccharides
  • organic oxides
  • oxacyclic compounds
  • oxanes
  • phenol ethers
  • phenoxy compounds
  • secondary alcohols
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • aromatic heteromonocyclic compound
  • 1-hydroxy-2-unsubstituted benzenoid
  • organic oxide
  • acetal
  • oxane
  • organoheterocyclic compound
  • alcohol
  • 1-hydroxy-4-unsubstituted benzenoid
  • oxacycle
  • phosphoric acid ester
  • monoalkyl phosphate
  • secondary alcohol
  • hexose phosphate
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • phenoxy compound
  • organic phosphoric acid derivative
  • alkyl phosphate