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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:28:37 UTC
Update Date2025-03-21 18:40:43 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00130931
Frequency19.4
Structure
Chemical FormulaC18H18O6
Molecular Mass330.1103
SMILESCOc1ccc(CC2C(=O)OCc3cc(OC)c(O)cc32)cc1O
InChI KeyWUJFSPCEDQXOJA-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenols
Subclass methoxyphenols
Direct Parent methoxyphenols
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • 2-benzopyrans
  • alkyl aryl ethers
  • anisoles
  • carbonyl compounds
  • carboxylic acid esters
  • hydrocarbon derivatives
  • lactones
  • methoxybenzenes
  • monocarboxylic acids and derivatives
  • organic oxides
  • oxacyclic compounds
  • phenoxy compounds
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • carbonyl group
  • ether
  • 1-hydroxy-2-unsubstituted benzenoid
  • methoxyphenol
  • alkyl aryl ether
  • carboxylic acid derivative
  • lactone
  • organic oxide
  • aromatic heteropolycyclic compound
  • isochromane
  • organoheterocyclic compound
  • benzopyran
  • 1-hydroxy-4-unsubstituted benzenoid
  • methoxybenzene
  • oxacycle
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • anisole
  • carboxylic acid ester
  • 2-benzopyran
  • hydrocarbon derivative
  • phenoxy compound
  • organooxygen compound