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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:07:33 UTC
Update Date2025-03-21 18:29:57 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00080366
Frequency36.2
Structure
Chemical FormulaC15H12O7
Molecular Mass304.0583
SMILESCOc1ccc(C2OC(=O)c3c(O)cc(O)cc3O2)cc1O
InChI KeyBVADHZGMDRKEMU-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzodioxanes
Subclass phenylbenzodioxanes
Direct Parent phenylbenzodioxanes
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • acetals
  • alkyl aryl ethers
  • anisoles
  • benzo-1,3-dioxanes
  • carboxylic acid esters
  • hydrocarbon derivatives
  • lactones
  • methoxybenzenes
  • methoxyphenols
  • monocarboxylic acids and derivatives
  • organic oxides
  • oxacyclic compounds
  • phenoxy compounds
  • vinylogous acids
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • ether
  • 1-hydroxy-2-unsubstituted benzenoid
  • methoxyphenol
  • alkyl aryl ether
  • carboxylic acid derivative
  • lactone
  • organic oxide
  • acetal
  • aromatic heteropolycyclic compound
  • phenylbenzodioxane
  • 1-hydroxy-4-unsubstituted benzenoid
  • methoxybenzene
  • benzo-1,3-dioxane
  • oxacycle
  • vinylogous acid
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • anisole
  • carboxylic acid ester
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • phenoxy compound
  • organooxygen compound