Hmdb loader

Showing information for DMID00066845

Record Information
HMDB Statuspredicted
Creation Date2024-02-21 00:01:58 UTC
Update Date2025-03-21 18:07:03 UTC
HMDB IDHMDB0126593
Metabolite Identification
DeepMet IDDMID00066845
Name6-[4-(2-carboxy-2-oxoethyl)-2-methoxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Frequency45.6
Structure
Chemical FormulaC16H18O11
Molecular Mass386.0849
SMILESCOc1cc(CC(=O)C(=O)O)ccc1OC1OC(C(=O)O)C(O)C(O)C1O
InChI KeyVATSQCYCBIJZAD-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbohydrates and carbohydrate conjugates
Direct Parent o-glucuronides
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • acetals
  • alkyl aryl ethers
  • alpha-hydroxy ketones
  • alpha-keto acids and derivatives
  • anisoles
  • beta hydroxy acids and derivatives
  • carboxylic acids
  • dicarboxylic acids and derivatives
  • glucuronic acid derivatives
  • hydrocarbon derivatives
  • methoxybenzenes
  • monosaccharides
  • organic oxides
  • oxacyclic compounds
  • oxanes
  • phenoxy compounds
  • phenylpropanoic acids
  • phenylpyruvic acid derivatives
  • pyran carboxylic acids
  • secondary alcohols
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • carbonyl group
  • ether
  • carboxylic acid
  • aromatic heteromonocyclic compound
  • 3-phenylpropanoic-acid
  • o-glucuronide
  • monosaccharide
  • alkyl aryl ether
  • alpha-hydroxy ketone
  • carboxylic acid derivative
  • pyran carboxylic acid
  • ketone
  • 1-o-glucuronide
  • beta-hydroxy acid
  • organic oxide
  • acetal
  • alpha-keto acid
  • oxane
  • organoheterocyclic compound
  • alcohol
  • pyran carboxylic acid or derivatives
  • phenylpyruvate
  • hydroxy acid
  • methoxybenzene
  • oxacycle
  • pyran
  • anisole
  • keto acid
  • secondary alcohol
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative
  • benzenoid
  • phenoxy compound