Hmdb loader

Showing information for DMID00102392

Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:16:46 UTC
Update Date2025-03-21 18:34:47 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00102392
Frequency26.6
Structure
Chemical FormulaC26H32N2O9S
Molecular Mass548.1829
SMILESCOc1ccc(C2Sc3ccccc3N(CCN(C)C)C(=O)C2OC2OC(C(=O)O)C(O)C(O)C2O)cc1
InChI KeyLFUPVGHDQSSCLG-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbohydrates and carbohydrate conjugates
Direct Parent o-glucuronides
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • acetals
  • alkyl aryl ethers
  • alkylarylthioethers
  • amino acids
  • anisoles
  • azacyclic compounds
  • benzothiazepines
  • beta hydroxy acids and derivatives
  • carbonyl compounds
  • carboxylic acids
  • glucuronic acid derivatives
  • hydrocarbon derivatives
  • lactams
  • methoxybenzenes
  • monocarboxylic acids and derivatives
  • monosaccharides
  • organic oxides
  • organopnictogen compounds
  • oxacyclic compounds
  • oxanes
  • phenoxy compounds
  • pyran carboxylic acids
  • secondary alcohols
  • tertiary carboxylic acid amides
  • trialkylamines
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • lactam
  • carboxylic acid
  • amino acid or derivatives
  • o-glucuronide
  • monosaccharide
  • pyran carboxylic acid
  • aryl thioether
  • 1-o-glucuronide
  • beta-hydroxy acid
  • acetal
  • organonitrogen compound
  • benzothiazepine
  • oxane
  • organoheterocyclic compound
  • alcohol
  • azacycle
  • tertiary aliphatic amine
  • methoxybenzene
  • thioether
  • anisole
  • hydrocarbon derivative
  • phenoxy compound
  • amine
  • carbonyl group
  • ether
  • amino acid
  • alkyl aryl ether
  • alkylarylthioether
  • carboxylic acid derivative
  • organic oxide
  • aromatic heteropolycyclic compound
  • tertiary carboxylic acid amide
  • organopnictogen compound
  • tertiary amine
  • pyran carboxylic acid or derivatives
  • hydroxy acid
  • carboxamide group
  • oxacycle
  • monocarboxylic acid or derivatives
  • pyran
  • secondary alcohol
  • benzenoid
  • organic nitrogen compound