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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:52:14 UTC
Update Date2025-03-25 00:50:53 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02183569
Frequency0.5
Structure
Chemical FormulaC15H12O8
Molecular Mass320.0532
SMILESO=C(O)c1cc2c(cc1O)OC(c1ccc(O)c(O)c1)C(O)O2
InChI KeyQBVDFJYDLIBDCY-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzodioxanes
Subclass phenylbenzodioxanes
Direct Parent phenylbenzo-1,4-dioxanes
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-carboxy-2-haloaromatic compounds
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • alkyl aryl ethers
  • benzene and substituted derivatives
  • benzo-1,4-dioxanes
  • hemiacetals
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • oxacyclic compounds
  • para dioxins
  • salicylic acid and derivatives
  • vinylogous acids
    • Substituents
  • monocyclic benzene moiety
  • ether
  • carboxylic acid
  • 1-hydroxy-2-unsubstituted benzenoid
  • alkyl aryl ether
  • carboxylic acid derivative
  • organic oxide
  • aromatic heteropolycyclic compound
  • hemiacetal
  • 1-carboxy-2-haloaromatic compound
  • 2-phenylbenzo-1,4-dioxane
  • benzo-1,4-dioxane
  • 1-hydroxy-4-unsubstituted benzenoid
  • hydroxybenzoic acid
  • oxacycle
  • vinylogous acid
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • salicylic acid or derivatives
  • para-dioxin
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound