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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:04:07 UTC
Update Date2025-03-21 18:28:28 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00071994
Frequency41.6
Structure
Chemical FormulaC16H16O7
Molecular Mass320.0896
SMILESOc1cc(O)c2c(c1)OC(C(O)c1ccc(O)c(O)c1)C(O)C2
InChI KeyCBHWYOSVOVFFCK-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzopyrans
Subclass 1-benzopyrans
Direct Parent 1-benzopyrans
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • alkyl aryl ethers
  • aromatic alcohols
  • benzene and substituted derivatives
  • hydrocarbon derivatives
  • oxacyclic compounds
  • secondary alcohols
  • Substituents
  • aromatic alcohol
  • alcohol
  • monocyclic benzene moiety
  • ether
  • 1-benzopyran
  • 1-hydroxy-2-unsubstituted benzenoid
  • 1-hydroxy-4-unsubstituted benzenoid
  • alkyl aryl ether
  • oxacycle
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • secondary alcohol
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound