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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:16:44 UTC
Update Date2025-03-21 18:34:46 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00102316
Frequency26.6
Structure
Chemical FormulaC17H18O5
Molecular Mass302.1154
SMILESO=C(CCc1ccc(O)cc1)CCc1c(O)cc(O)cc1O
InChI KeyJAQKOJJYAHNQNS-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenols
Subclass benzenetriols and derivatives
Direct Parent phloroglucinols and derivatives
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • benzene and substituted derivatives
  • hydrocarbon derivatives
  • ketones
  • organic oxides
    • Substituents
  • monocyclic benzene moiety
  • carbonyl group
  • 1-hydroxy-2-unsubstituted benzenoid
  • 1-hydroxy-4-unsubstituted benzenoid
  • ketone
  • phloroglucinol derivative
  • aromatic homomonocyclic compound
  • organic oxide
  • organic oxygen compound
  • hydrocarbon derivative
  • organooxygen compound