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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:39:45 UTC
Update Date2025-03-25 00:46:27 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02155273
Frequency0.5
Structure
Chemical FormulaC27H30O12
Molecular Mass546.1737
SMILESCc1cc2c(CCC(=O)O)c(CCC(=O)O)c(CCC(=O)O)c(CC(=O)O)c2c(CC(=O)O)c1CCC(=O)O
InChI KeyGWTVGYCTJYTLSP-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classcarboxylic acids and derivatives
Subclass hexacarboxylic acids and derivatives
Direct Parent hexacarboxylic acids and derivatives
Geometric Descriptor aromatic homopolycyclic compounds
Alternative Parents
  • carbonyl compounds
  • carboxylic acids
  • hydrocarbon derivatives
  • naphthalenes
  • organic oxides
    • Substituents
  • carbonyl group
  • organic oxide
  • naphthalene
  • carboxylic acid
  • organic oxygen compound
  • aromatic homopolycyclic compound
  • hydrocarbon derivative
  • benzenoid
  • hexacarboxylic acid or derivatives
  • organooxygen compound