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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:48:44 UTC
Update Date2025-03-25 00:49:38 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02175573
Frequency0.5
Structure
Chemical FormulaC17H16O8
Molecular Mass348.0845
SMILESO=C(CC1Oc2cc(O)cc(O)c2CC1O)c1c(O)cc(O)cc1O
InChI KeyJNVPCAOSUXOIHW-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent alkyl-phenylketones
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-benzopyrans
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • acylphloroglucinols and derivatives
  • alkyl aryl ethers
  • aryl alkyl ketones
  • benzoyl derivatives
  • hydrocarbon derivatives
  • organic oxides
  • oxacyclic compounds
  • secondary alcohols
  • vinylogous acids
    • Substituents
  • monocyclic benzene moiety
  • ether
  • aryl alkyl ketone
  • 1-benzopyran
  • benzoyl
  • 1-hydroxy-2-unsubstituted benzenoid
  • alkyl aryl ether
  • phloroglucinol derivative
  • organic oxide
  • aromatic heteropolycyclic compound
  • chromane
  • organoheterocyclic compound
  • acylphloroglucinol derivative
  • alcohol
  • benzopyran
  • benzenetriol
  • 1-hydroxy-4-unsubstituted benzenoid
  • oxacycle
  • vinylogous acid
  • secondary alcohol
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • alkyl-phenylketone