Hmdb loader

Showing information for DMID02155254

Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:39:45 UTC
Update Date2025-03-25 00:46:26 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02155254
Frequency0.5
Structure
Chemical FormulaC16H20O7
Molecular Mass324.1209
SMILESCc1cc(O)c(CCC(=O)O)c(CCC(=O)O)c1CCC(=O)O
InChI KeyIAWCFLSLJMRGJB-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classphenylpropanoic acids
Subclass phenylpropanoic acids
Direct Parent phenylpropanoic acids
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • carbonyl compounds
  • carboxylic acids
  • hydrocarbon derivatives
  • meta cresols
  • organic oxides
  • toluenes
  • tricarboxylic acids and derivatives
    • Substituents
  • monocyclic benzene moiety
  • carbonyl group
  • carboxylic acid
  • m-cresol
  • 3-phenylpropanoic-acid
  • 1-hydroxy-2-unsubstituted benzenoid
  • tricarboxylic acid or derivatives
  • carboxylic acid derivative
  • aromatic homomonocyclic compound
  • organic oxide
  • organic oxygen compound
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • toluene
  • organooxygen compound