Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:38:30 UTC
Update Date2025-03-21 17:58:04 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00011987
Frequency382.0
Structure
Chemical FormulaC15H20O7
Molecular Mass312.1209
SMILESCCc1ccc(OC2C(O)C(O)C(O)C(O)C2C(=O)O)cc1
InChI KeyCJFHSVWDFMDWAN-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenol ethers
Subclass phenol ethers
Direct Parent phenol ethers
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • beta hydroxy acids and derivatives
  • carbonyl compounds
  • carboxylic acids
  • cyclitols and derivatives
  • cyclohexanols
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • phenoxy compounds
  • Substituents
  • alcohol
  • phenol ether
  • monocyclic benzene moiety
  • carbonyl group
  • ether
  • carboxylic acid
  • cyclohexanol
  • cyclitol or derivatives
  • hydroxy acid
  • cyclic alcohol
  • alkyl aryl ether
  • carboxylic acid derivative
  • aromatic homomonocyclic compound
  • beta-hydroxy acid
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • secondary alcohol
  • hydrocarbon derivative
  • phenoxy compound
  • organooxygen compound