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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:16:17 UTC
Update Date2025-03-25 00:59:39 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02238471
Frequency0.5
Structure
Chemical FormulaC13H17O11P
Molecular Mass380.0508
SMILESO=C(O)c1cc(C2OC(COP(=O)(O)O)C(O)C(O)C2O)ccc1O
InChI KeyIQYRAKBHZRLZGY-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-carboxy-2-haloaromatic compounds
  • 1-hydroxy-2-unsubstituted benzenoids
  • benzoic acids
  • benzoyl derivatives
  • dialkyl ethers
  • hydrocarbon derivatives
  • monoalkyl phosphates
  • monocarboxylic acids and derivatives
  • monosaccharides
  • organic oxides
  • oxacyclic compounds
  • oxanes
  • salicylic acids
  • secondary alcohols
  • vinylogous acids
    • Substituents
  • monocyclic benzene moiety
  • ether
  • carboxylic acid
  • aromatic heteromonocyclic compound
  • benzoyl
  • 1-hydroxy-2-unsubstituted benzenoid
  • salicylic acid
  • carboxylic acid derivative
  • dialkyl ether
  • organic oxide
  • 1-carboxy-2-haloaromatic compound
  • benzoic acid
  • oxane
  • organoheterocyclic compound
  • alcohol
  • benzoic acid or derivatives
  • hydroxybenzoic acid
  • oxacycle
  • vinylogous acid
  • monocarboxylic acid or derivatives
  • salicylic acid or derivatives
  • phosphoric acid ester
  • monoalkyl phosphate
  • secondary alcohol
  • hexose phosphate
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • organic phosphoric acid derivative
  • alkyl phosphate