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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:44:29 UTC
Update Date2025-03-25 00:48:04 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02165877
Frequency0.5
Structure
Chemical FormulaC19H22O8
Molecular Mass378.1315
SMILESCC1C(Oc2cccc(CC3OC(=O)C(=O)O3)c2)OC(C(=O)O)C(C)C1C
InChI KeyHOLSVJSYWOYAHB-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
  • 1,3-dioxolanes
  • acetals
  • carbonyl compounds
  • carboxylic acid esters
  • carboxylic acids
  • hydrocarbon derivatives
  • lactones
  • organic oxides
  • oxacyclic compounds
  • oxanes
  • phenol ethers
  • phenoxy compounds
  • tricarboxylic acids and derivatives
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • meta-dioxolane
  • carbonyl group
  • carboxylic acid
  • pyran carboxylic acid or derivatives
  • aromatic heteromonocyclic compound
  • tricarboxylic acid or derivatives
  • carboxylic acid derivative
  • lactone
  • oxacycle
  • organic oxide
  • organic oxygen compound
  • acetal
  • carboxylic acid ester
  • hydrocarbon derivative
  • benzenoid
  • phenoxy compound
  • oxane
  • organooxygen compound