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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:20:51 UTC
Update Date2025-03-25 01:01:24 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02249025
Frequency0.5
Structure
Chemical FormulaC16H17NO9
Molecular Mass367.0903
SMILESCOc1ccc2c(c1)c(C(=O)O)cn2C1OC(C(=O)O)C(O)C(O)C1O
InChI KeySVANCYCQCSNOON-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassnucleosides, nucleotides, and analogues
Classnucleoside and nucleotide analogues
Subclass 1-pyranosylindoles
Direct Parent 1-pyranosylindoles
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-carboxy-2-haloaromatic compounds
  • alkyl aryl ethers
  • anisoles
  • azacyclic compounds
  • beta hydroxy acids and derivatives
  • carbonyl compounds
  • dicarboxylic acids and derivatives
  • glucuronic acid derivatives
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • indolecarboxylic acids and derivatives
  • indoles
  • monosaccharides
  • n-alkylindoles
  • n-glucuronides
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • oxanes
  • pyran carboxylic acids
  • pyrrole carboxylic acids
  • secondary alcohols
  • substituted pyrroles
  • vinylogous amides
    • Substituents
  • phenol ether
  • carbonyl group
  • ether
  • n-alkylindole
  • carboxylic acid
  • glucuronic acid or derivatives
  • pyrrole-3-carboxylic acid or derivatives
  • indole
  • monosaccharide
  • substituted pyrrole
  • alkyl aryl ether
  • carboxylic acid derivative
  • pyran carboxylic acid
  • 1-pyranosylindole
  • n-glucuronide
  • beta-hydroxy acid
  • saccharide
  • organic oxide
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • 1-carboxy-2-haloaromatic compound
  • oxane
  • organoheterocyclic compound
  • indolecarboxylic acid derivative
  • alcohol
  • vinylogous amide
  • pyran carboxylic acid or derivatives
  • azacycle
  • heteroaromatic compound
  • indole or derivatives
  • hydroxy acid
  • oxacycle
  • organic oxygen compound
  • pyran
  • anisole
  • pyrrole
  • secondary alcohol
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • pyrrole-3-carboxylic acid
  • organooxygen compound