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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:56:58 UTC
Update Date2025-03-25 00:52:31 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02194287
Frequency0.5
Structure
Chemical FormulaC20H25NO8
Molecular Mass407.158
SMILESCN1CCC23C4=CC(OC5OC(C(=O)O)C(O)C(O)C5O)C=CC2C1OC3C=C4
InChI KeyJWJWWTWCPQLEJI-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbohydrates and carbohydrate conjugates
Direct Parent o-glucuronides
Geometric Descriptor aliphatic heteropolycyclic compounds
Alternative Parents
  • 1,3-oxazepines
  • acetals
  • azacyclic compounds
  • azaspirodecane derivatives
  • beta hydroxy acids and derivatives
  • carbonyl compounds
  • carboxylic acids
  • glucuronic acid derivatives
  • hemiaminals
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • monosaccharides
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • oxanes
  • oxocins
  • piperidines
  • pyran carboxylic acids
  • secondary alcohols
  • tetrahydrofurans
    • Substituents
  • carbonyl group
  • carboxylic acid
  • o-glucuronide
  • monosaccharide
  • carboxylic acid derivative
  • pyran carboxylic acid
  • hemiaminal
  • 1-o-glucuronide
  • aliphatic heteropolycyclic compound
  • beta-hydroxy acid
  • organic oxide
  • meta-oxazepine
  • acetal
  • organonitrogen compound
  • organopnictogen compound
  • oxane
  • piperidine
  • organoheterocyclic compound
  • oxocin
  • alcohol
  • pyran carboxylic acid or derivatives
  • azacycle
  • tetrahydrofuran
  • hydroxy acid
  • azaspirodecane
  • oxacycle
  • monocarboxylic acid or derivatives
  • pyran
  • secondary alcohol
  • hydrocarbon derivative
  • organic nitrogen compound