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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:59:41 UTC
Update Date2025-03-25 00:53:34 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02200549
Frequency0.5
Structure
Chemical FormulaC26H30O10
Molecular Mass502.1839
SMILESCOc1ccc(CC2CCC(=O)C2Cc2ccc(O)cc2)cc1OC1OC(C(=O)O)C(O)C(O)C1O
InChI KeyFXSINGZXNKQNRS-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classdiarylheptanoids
Subclass linear diarylheptanoids
Direct Parent linear diarylheptanoids
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • acetals
  • alkyl aryl ethers
  • anisoles
  • beta hydroxy acids and derivatives
  • carboxylic acids
  • cyclic ketones
  • glucuronic acid derivatives
  • hydrocarbon derivatives
  • methoxybenzenes
  • monocarboxylic acids and derivatives
  • monosaccharides
  • o-glucuronides
  • organic oxides
  • oxacyclic compounds
  • oxanes
  • phenoxy compounds
  • pyran carboxylic acids
  • secondary alcohols
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • carbonyl group
  • ether
  • carboxylic acid
  • glucuronic acid or derivatives
  • aromatic heteromonocyclic compound
  • o-glucuronide
  • 1-hydroxy-2-unsubstituted benzenoid
  • monosaccharide
  • cyclic ketone
  • alkyl aryl ether
  • carboxylic acid derivative
  • pyran carboxylic acid
  • ketone
  • 1-o-glucuronide
  • beta-hydroxy acid
  • saccharide
  • organic oxide
  • acetal
  • oxane
  • organoheterocyclic compound
  • alcohol
  • pyran carboxylic acid or derivatives
  • hydroxy acid
  • methoxybenzene
  • oxacycle
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • pyran
  • anisole
  • secondary alcohol
  • phenol
  • linear 1,7-diphenylheptane skeleton
  • hydrocarbon derivative
  • benzenoid
  • phenoxy compound
  • organooxygen compound