Hmdb loader

Showing information for DMID02249610

Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:21:06 UTC
Update Date2025-03-25 01:01:29 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02249610
Frequency0.5
Structure
Chemical FormulaC20H20NO7+
Molecular Mass386.1234
SMILESC[n+]1ccc2ccc3cc(OC4OC(C(=O)O)C(O)C(O)C4O)ccc3c2c1
InChI KeyJZCGGOCHBIAEQR-UHFFFAOYSA-O
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
  • azacyclic compounds
  • beta hydroxy acids and derivatives
  • carbonyl compounds
  • carboxylic acids
  • glucuronic acid derivatives
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • hydroxypyridines
  • isoquinolines and derivatives
  • monocarboxylic acids and derivatives
  • monosaccharides
  • naphthalenes
  • organic cations
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • oxanes
  • phenol ethers
  • polyhalopyridines
  • pyran carboxylic acids
  • secondary alcohols
    • Substituents
  • phenol ether
  • carbonyl group
  • carboxylic acid
  • polyhalopyridine
  • o-glucuronide
  • monosaccharide
  • carboxylic acid derivative
  • pyran carboxylic acid
  • 1-o-glucuronide
  • beta-hydroxy acid
  • organic oxide
  • acetal
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • organic cation
  • oxane
  • organoheterocyclic compound
  • alcohol
  • pyran carboxylic acid or derivatives
  • azacycle
  • heteroaromatic compound
  • hydroxypyridine
  • hydroxy acid
  • oxacycle
  • monocarboxylic acid or derivatives
  • pyridine
  • naphthalene
  • pyran
  • isoquinoline
  • secondary alcohol
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound