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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:39:29 UTC
Update Date2025-03-25 00:46:20 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02154656
Frequency0.5
Structure
Chemical FormulaC18H23NO9
Molecular Mass397.1373
SMILESCOc1ccc(C2CCC(=O)N2C)cc1OC1C(O)OC(C(=O)O)C(O)C1O
InChI KeyCYFOEAQJYNHJOO-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbohydrates and carbohydrate conjugates
Direct Parent glucuronic acid derivatives
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 1,2-diols
  • alkyl aryl ethers
  • anisoles
  • azacyclic compounds
  • beta hydroxy acids and derivatives
  • carbonyl compounds
  • carboxylic acids
  • hemiacetals
  • hydrocarbon derivatives
  • lactams
  • methoxybenzenes
  • monocarboxylic acids and derivatives
  • monosaccharides
  • n-alkylpyrrolidines
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • oxanes
  • phenoxy compounds
  • phenylpyrrolidines
  • pyran carboxylic acids
  • pyrroles
  • pyrrolidine-2-ones
  • secondary alcohols
  • tertiary carboxylic acid amides
    • Substituents
  • 2-pyrrolidone
  • phenol ether
  • monocyclic benzene moiety
  • carbonyl group
  • ether
  • lactam
  • carboxylic acid
  • glucuronic acid or derivatives
  • aromatic heteromonocyclic compound
  • monosaccharide
  • alkyl aryl ether
  • carboxylic acid derivative
  • pyran carboxylic acid
  • beta-hydroxy acid
  • organic oxide
  • tertiary carboxylic acid amide
  • organonitrogen compound
  • organopnictogen compound
  • hemiacetal
  • oxane
  • pyrrolidine
  • pyrrolidone
  • organoheterocyclic compound
  • 1,2-diol
  • alcohol
  • pyran carboxylic acid or derivatives
  • azacycle
  • n-alkylpyrrolidine
  • 2-phenylpyrrolidine
  • hydroxy acid
  • carboxamide group
  • methoxybenzene
  • oxacycle
  • monocarboxylic acid or derivatives
  • pyran
  • anisole
  • pyrrole
  • secondary alcohol
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • phenoxy compound