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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:40:21 UTC
Update Date2025-03-25 00:46:40 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02156598
Frequency0.5
Structure
Chemical FormulaC13H14O5
Molecular Mass250.0841
SMILESO=C1CC2C(Cc3ccc(O)c(O)c3)OCC2O1
InChI KeyAKQKVILCNBENIS-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classfurofurans
Subclass furofurans
Direct Parent furofurans
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • benzene and substituted derivatives
  • carbonyl compounds
  • carboxylic acid esters
  • dialkyl ethers
  • gamma butyrolactones
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • oxacyclic compounds
  • tetrahydrofurans
    • Substituents
  • monocyclic benzene moiety
  • carbonyl group
  • ether
  • tetrahydrofuran
  • 1-hydroxy-2-unsubstituted benzenoid
  • 1-hydroxy-4-unsubstituted benzenoid
  • carboxylic acid derivative
  • dialkyl ether
  • gamma butyrolactone
  • lactone
  • oxacycle
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • furofuran
  • carboxylic acid ester
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound