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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:37:46 UTC
Update Date2025-03-25 00:45:40 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02150610
Frequency0.5
Structure
Chemical FormulaC16H17O6+
Molecular Mass305.102
SMILESCC1(C)Oc2[o+]c(-c3ccc(O)cc3)c(O)cc2C(O)C1O
InChI KeySSVPGTGALWRVEX-UHFFFAOYSA-O
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass ethers
Direct Parent alkyl aryl ethers
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1,2-diols
  • 1-hydroxy-2-unsubstituted benzenoids
  • benzene and substituted derivatives
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • organic cations
  • oxacyclic compounds
  • secondary alcohols
    • Substituents
  • alcohol
  • monocyclic benzene moiety
  • heteroaromatic compound
  • 1-hydroxy-2-unsubstituted benzenoid
  • alkyl aryl ether
  • oxacycle
  • aromatic heteropolycyclic compound
  • secondary alcohol
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • organic cation
  • organoheterocyclic compound
  • 1,2-diol