Hmdb loader

Showing information for DMID02220957

Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:08:28 UTC
Update Date2025-03-25 00:56:49 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02220957
Frequency0.5
Structure
Chemical FormulaC17H19ClO10
Molecular Mass418.0667
SMILESO=C1CCC(Cc2cc(O)c(OC3OC(C(=O)O)C(Cl)C(O)C3O)cc2O)O1
InChI KeyLVOHGUINWNBSIP-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
  • 1-hydroxy-2-unsubstituted benzenoids
  • acetals
  • alkyl chlorides
  • carbonyl compounds
  • carboxylic acid esters
  • carboxylic acids
  • chlorohydrins
  • dicarboxylic acids and derivatives
  • gamma butyrolactones
  • hydrocarbon derivatives
  • hydroquinones
  • monosaccharides
  • organic oxides
  • organochlorides
  • oxacyclic compounds
  • oxanes
  • phenol ethers
  • phenoxy compounds
  • pyran carboxylic acids
  • secondary alcohols
  • tetrahydrofurans
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • carbonyl group
  • carboxylic acid
  • glucuronic acid or derivatives
  • chlorohydrin
  • aromatic heteromonocyclic compound
  • alkyl chloride
  • organochloride
  • 1-hydroxy-2-unsubstituted benzenoid
  • monosaccharide
  • carboxylic acid derivative
  • organohalogen compound
  • pyran carboxylic acid
  • lactone
  • organic oxide
  • acetal
  • alkyl halide
  • oxane
  • organoheterocyclic compound
  • 1,2-diol
  • alcohol
  • pyran carboxylic acid or derivatives
  • tetrahydrofuran
  • halohydrin
  • gamma butyrolactone
  • hydroquinone
  • oxacycle
  • pyran
  • carboxylic acid ester
  • secondary alcohol
  • dicarboxylic acid or derivatives
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • phenoxy compound