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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:01:28 UTC
Update Date2025-03-25 00:54:11 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02204622
Frequency0.5
Structure
Chemical FormulaC15H14O7
Molecular Mass306.074
SMILESO=C1OCC2C1C(O)C1Oc3cc4c(cc3C(O)C21)OCO4
InChI KeyPVMZZTYASICKBH-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzopyrans
Subclass 1-benzopyrans
Direct Parent 1-benzopyrans
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • acetals
  • alkyl aryl ethers
  • benzenoids
  • benzodioxoles
  • carbonyl compounds
  • carboxylic acid esters
  • cyclic alcohols and derivatives
  • gamma butyrolactones
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • oxacyclic compounds
  • secondary alcohols
  • tetrahydrofurans
    • Substituents
  • carbonyl group
  • ether
  • 1-benzopyran
  • alkyl aryl ether
  • carboxylic acid derivative
  • lactone
  • organic oxide
  • acetal
  • aromatic heteropolycyclic compound
  • benzodioxole
  • alcohol
  • tetrahydrofuran
  • cyclic alcohol
  • gamma butyrolactone
  • oxacycle
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • carboxylic acid ester
  • secondary alcohol
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound