Hmdb loader

Showing information for DMID02249227

Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:20:56 UTC
Update Date2025-03-25 01:01:26 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02249227
Frequency0.5
Structure
Chemical FormulaC19H24O9
Molecular Mass396.142
SMILESCOc1cc(C(=O)C2CCCC2)ccc1OC1OC(C(=O)O)C(O)C(O)C1O
InChI KeyASISKQXMCAERLE-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
  • alkyl-phenylketones
  • anisoles
  • aryl alkyl ketones
  • benzoyl derivatives
  • beta hydroxy acids and derivatives
  • carboxylic acids
  • glucuronic acid derivatives
  • hydrocarbon derivatives
  • methoxybenzenes
  • monocarboxylic acids and derivatives
  • monosaccharides
  • organic oxides
  • oxacyclic compounds
  • oxanes
  • phenoxy compounds
  • pyran carboxylic acids
  • secondary alcohols
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • carbonyl group
  • ether
  • carboxylic acid
  • aryl alkyl ketone
  • aromatic heteromonocyclic compound
  • benzoyl
  • o-glucuronide
  • monosaccharide
  • alkyl aryl ether
  • carboxylic acid derivative
  • pyran carboxylic acid
  • ketone
  • 1-o-glucuronide
  • beta-hydroxy acid
  • organic oxide
  • acetal
  • oxane
  • organoheterocyclic compound
  • alcohol
  • pyran carboxylic acid or derivatives
  • hydroxy acid
  • methoxybenzene
  • phenylketone
  • oxacycle
  • monocarboxylic acid or derivatives
  • pyran
  • anisole
  • secondary alcohol
  • hydrocarbon derivative
  • benzenoid
  • phenoxy compound
  • alkyl-phenylketone
  • aryl ketone