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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:01:19 UTC
Update Date2025-03-25 00:54:08 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02204275
Frequency0.5
Structure
Chemical FormulaC16H16O4
Molecular Mass272.1049
SMILESOc1cccc(CC2c3cc(O)ccc3OCC2O)c1
InChI KeyPPDXVEIGVDXIOJ-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
  • benzene and substituted derivatives
  • hydrocarbon derivatives
  • oxacyclic compounds
  • secondary alcohols
    • Substituents
  • 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