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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:02:48 UTC
Update Date2025-03-25 00:54:38 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02207660
Frequency0.5
Structure
Chemical FormulaC12H16O5
Molecular Mass240.0998
SMILESO=C(CCCCCO)c1c(O)cc(O)cc1O
InChI KeyVVBSFLIGGJVHIC-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent alkyl-phenylketones
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • acylphloroglucinols and derivatives
  • alcohols and polyols
  • aryl alkyl ketones
  • benzoyl derivatives
  • butyrophenones
  • fatty alcohols
  • hydrocarbon derivatives
  • organic oxides
  • vinylogous acids
    • Substituents
  • fatty acyl
  • monocyclic benzene moiety
  • aryl alkyl ketone
  • benzoyl
  • 1-hydroxy-2-unsubstituted benzenoid
  • phloroglucinol derivative
  • organic oxide
  • fatty alcohol
  • acylphloroglucinol derivative
  • alcohol
  • benzenetriol
  • 1-hydroxy-4-unsubstituted benzenoid
  • butyrophenone
  • aromatic homomonocyclic compound
  • vinylogous acid
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • alkyl-phenylketone