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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:37:25 UTC
Update Date2025-03-25 00:45:32 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02149765
Frequency0.5
Structure
Chemical FormulaC16H21O12P
Molecular Mass436.0771
SMILESO=C(C=Cc1ccc(O)c(O)c1)OCC1OC(COP(=O)(O)O)C(O)C(O)C1O
InChI KeyYRIWXIBPRWDAOM-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
  • benzene and substituted derivatives
  • carbonyl compounds
  • dialkyl ethers
  • enoate esters
  • fatty acid esters
  • hydrocarbon derivatives
  • hydroxycinnamic acids
  • monoalkyl phosphates
  • monocarboxylic acids and derivatives
  • monosaccharides
  • organic oxides
  • oxacyclic compounds
  • oxanes
  • secondary alcohols
    • Substituents
  • fatty acyl
  • monocyclic benzene moiety
  • carbonyl group
  • ether
  • aromatic heteromonocyclic compound
  • 1-hydroxy-2-unsubstituted benzenoid
  • carboxylic acid derivative
  • dialkyl ether
  • hydroxycinnamic acid or derivatives
  • alpha,beta-unsaturated carboxylic ester
  • cinnamic acid or derivatives
  • organic oxide
  • oxane
  • organoheterocyclic compound
  • enoate ester
  • alcohol
  • 1-hydroxy-4-unsubstituted benzenoid
  • hydroxycinnamic acid
  • oxacycle
  • fatty acid ester
  • monocarboxylic acid or derivatives
  • phosphoric acid ester
  • monoalkyl phosphate
  • carboxylic acid ester
  • secondary alcohol
  • hexose phosphate
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • organic phosphoric acid derivative
  • alkyl phosphate