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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:20:28 UTC
Update Date2025-03-21 18:36:36 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00111504
Frequency23.8
Structure
Chemical FormulaC21H28O6
Molecular Mass376.1886
SMILESCC1CC(=O)OC1Cc1cccc(OC2OC(C(=O)O)C(C)C(C)C2C)c1
InChI KeyKKAQSMWQMTXEHU-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
  • acetals
  • carbonyl compounds
  • carboxylic acid esters
  • carboxylic acids
  • dicarboxylic acids and derivatives
  • gamma butyrolactones
  • hydrocarbon derivatives
  • organic oxides
  • oxacyclic compounds
  • oxanes
  • phenol ethers
  • phenoxy compounds
  • tetrahydrofurans
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • carbonyl group
  • carboxylic acid
  • aromatic heteromonocyclic compound
  • carboxylic acid derivative
  • lactone
  • organic oxide
  • acetal
  • oxane
  • pyran carboxylic acid or derivatives
  • tetrahydrofuran
  • gamma butyrolactone
  • oxacycle
  • organic oxygen compound
  • carboxylic acid ester
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative
  • benzenoid
  • phenoxy compound
  • organooxygen compound