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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:44:24 UTC
Update Date2025-03-25 00:48:02 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02165678
Frequency0.5
Structure
Chemical FormulaC17H20O8
Molecular Mass352.1158
SMILESCC=Cc1ccc(OC2CC(C(=O)O)C(C(=O)O)OC2O)c(OC)c1
InChI KeyTUVFEJPIRYFNBG-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrans
Subclass pyran carboxylic acids and derivatives
Direct Parent pyran carboxylic acids
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • anisoles
  • carbonyl compounds
  • carboxylic acids
  • dicarboxylic acids and derivatives
  • hemiacetals
  • hydrocarbon derivatives
  • methoxybenzenes
  • organic oxides
  • oxacyclic compounds
  • oxanes
  • phenoxy compounds
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • carbonyl group
  • ether
  • carboxylic acid
  • aromatic heteromonocyclic compound
  • alkyl aryl ether
  • carboxylic acid derivative
  • organic oxide
  • hemiacetal
  • oxane
  • pyran carboxylic acid or derivatives
  • methoxybenzene
  • oxacycle
  • organic oxygen compound
  • anisole
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative
  • benzenoid
  • phenoxy compound
  • organooxygen compound