Hmdb loader

Showing information for DMID02162821

Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:43:10 UTC
Update Date2025-03-25 00:47:36 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02162821
Frequency0.5
Structure
Chemical FormulaC16H19NO10S
Molecular Mass417.073
SMILESO=C(Cc1c[nH]c2ccccc12)OC1C(O)C(O)C(O)C(OS(=O)(=O)O)C1O
InChI KeyNYSAMDBHOHSXFU-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classindoles and derivatives
Subclass indoles
Direct Parent indoles
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • alkyl sulfates
  • azacyclic compounds
  • benzenoids
  • carbonyl compounds
  • carboxylic acid esters
  • cyclitols and derivatives
  • cyclohexanols
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • pyrroles
  • sulfuric acid monoesters
    • Substituents
  • sulfuric acid monoester
  • carbonyl group
  • indole
  • carboxylic acid derivative
  • organic oxide
  • aromatic heteropolycyclic compound
  • alkyl sulfate
  • organonitrogen compound
  • organopnictogen compound
  • alcohol
  • organic sulfuric acid or derivatives
  • azacycle
  • heteroaromatic compound
  • cyclohexanol
  • cyclitol or derivatives
  • cyclic alcohol
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • carboxylic acid ester
  • pyrrole
  • secondary alcohol
  • sulfate-ester
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • sulfuric acid ester
  • organooxygen compound