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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:07:39 UTC
Update Date2025-03-25 00:56:32 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02219044
Frequency0.5
Structure
Chemical FormulaC25H22O15
Molecular Mass562.0959
SMILESCOc1ccc(C2CC(=O)c3c(c4c(O)cc(O)c(OC5OC(C(=O)O)C(O)C(O)C5O)c4oc3=O)O2)cc1O
InChI KeyBAGZDSMDHYHPAF-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classcoumarins and derivatives
Subclass coumarino-gamma-pyrones
Direct Parent coumarino-gamma-pyrones
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-benzopyrans
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • acetals
  • alkyl aryl ethers
  • angular pyranocoumarins
  • anisoles
  • aryl alkyl ketones
  • beta hydroxy acids and derivatives
  • carboxylic acids
  • glucuronic acid derivatives
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • lactones
  • methoxybenzenes
  • methoxyphenols
  • monocarboxylic acids and derivatives
  • monosaccharides
  • o-glucuronides
  • organic oxides
  • oxacyclic compounds
  • oxanes
  • phenoxy compounds
  • pyran carboxylic acids
  • pyranones and derivatives
  • secondary alcohols
  • vinylogous esters
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • carboxylic acid
  • aryl alkyl ketone
  • 1-benzopyran
  • o-glucuronide
  • methoxyphenol
  • monosaccharide
  • pyran carboxylic acid
  • angular pyranocoumarin
  • ketone
  • 1-o-glucuronide
  • beta-hydroxy acid
  • saccharide
  • acetal
  • oxane
  • organoheterocyclic compound
  • alcohol
  • benzopyran
  • heteroaromatic compound
  • methoxybenzene
  • anisole
  • phenol
  • hydrocarbon derivative
  • phenoxy compound
  • aryl ketone
  • carbonyl group
  • ether
  • glucuronic acid or derivatives
  • 1-hydroxy-2-unsubstituted benzenoid
  • alkyl aryl ether
  • carboxylic acid derivative
  • coumarino-gamma-pyrone
  • lactone
  • organic oxide
  • aromatic heteropolycyclic compound
  • pyranone
  • pyranocoumarin
  • pyran carboxylic acid or derivatives
  • vinylogous ester
  • hydroxy acid
  • 1-hydroxy-4-unsubstituted benzenoid
  • oxacycle
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • pyran
  • secondary alcohol
  • benzenoid
  • organooxygen compound