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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:17:49 UTC
Update Date2025-03-21 18:35:18 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00104996
Frequency25.8
Structure
Chemical FormulaC11H15O9P
Molecular Mass322.0454
SMILESO=P(O)(O)OCC1OC(c2ccc(O)c(O)c2)C(O)C1O
InChI KeyRDSMBFDWCCKBJQ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbohydrates and carbohydrate conjugates
Direct Parent pentose phosphates
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 1,2-diols
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • benzene and substituted derivatives
  • dialkyl ethers
  • hydrocarbon derivatives
  • monoalkyl phosphates
  • monosaccharides
  • organic oxides
  • oxacyclic compounds
  • secondary alcohols
  • tetrahydrofurans
    • Substituents
  • monocyclic benzene moiety
  • ether
  • aromatic heteromonocyclic compound
  • pentose phosphate
  • 1-hydroxy-2-unsubstituted benzenoid
  • pentose-5-phosphate
  • dialkyl ether
  • organic oxide
  • organoheterocyclic compound
  • 1,2-diol
  • alcohol
  • tetrahydrofuran
  • 1-hydroxy-4-unsubstituted benzenoid
  • oxacycle
  • phosphoric acid ester
  • monoalkyl phosphate
  • secondary alcohol
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • organic phosphoric acid derivative
  • alkyl phosphate