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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:39:17 UTC
Update Date2025-03-25 00:46:15 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02154195
Frequency0.5
Structure
Chemical FormulaC16H12O5
Molecular Mass284.0685
SMILESCOc1cc2c(-c3ccc(O)cc3)coc(cc1O)c2=O
InChI KeyIWIORZDHTOZJBK-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclasshydrocarbon derivatives
Classtropones
Subclass tropones
Direct Parent tropones
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • alkyl aryl ethers
  • benzene and substituted derivatives
  • heteroaromatic compounds
  • organic oxides
  • oxacyclic compounds
    • Substituents
  • monocyclic benzene moiety
  • ether
  • tropone
  • heteroaromatic compound
  • 1-hydroxy-2-unsubstituted benzenoid
  • alkyl aryl ether
  • oxacycle
  • organic oxide
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • phenol
  • benzenoid
  • organoheterocyclic compound
  • organooxygen compound