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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:07:55 UTC
Update Date2025-03-25 00:56:37 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02219645
Frequency0.5
Structure
Chemical FormulaC18H18O6
Molecular Mass330.1103
SMILESCOc1cc(C(=O)CC(=O)CCc2ccc(O)cc2O)ccc1O
InChI KeyWRRMOBKTMGSSAP-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenols
Subclass methoxyphenols
Direct Parent paradols
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • alkyl aryl ethers
  • alkyl-phenylketones
  • anisoles
  • aryl alkyl ketones
  • benzoyl derivatives
  • butyrophenones
  • hydrocarbon derivatives
  • methoxybenzenes
  • organic oxides
  • phenoxy compounds
  • resorcinols
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • carbonyl group
  • ether
  • aryl alkyl ketone
  • benzoyl
  • 1-hydroxy-2-unsubstituted benzenoid
  • alkyl aryl ether
  • resorcinol
  • ketone
  • organic oxide
  • 1-hydroxy-4-unsubstituted benzenoid
  • methoxybenzene
  • paradol
  • phenylketone
  • butyrophenone
  • aromatic homomonocyclic compound
  • organic oxygen compound
  • anisole
  • hydrocarbon derivative
  • phenoxy compound
  • alkyl-phenylketone
  • organooxygen compound
  • aryl ketone