Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:57:31 UTC
Update Date2025-03-25 00:52:42 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02195528
Frequency0.5
Structure
Chemical FormulaC26H38O9
Molecular Mass494.2516
SMILESCC1OC(OC2OC(Oc3ccc(CC4CCC(=O)O4)cc3)C(C)C(C)C(C)C2O)CC(O)C1O
InChI KeyGGKZTZFADVZNPL-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenol ethers
Subclass phenol ethers
Direct Parent phenol ethers
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • acetals
  • carbonyl compounds
  • carboxylic acid esters
  • gamma butyrolactones
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • monosaccharides
  • organic oxides
  • oxacyclic compounds
  • oxanes
  • oxepanes
  • phenoxy compounds
  • secondary alcohols
  • tetrahydrofurans
  • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • carbonyl group
  • aromatic heteromonocyclic compound
  • monosaccharide
  • carboxylic acid derivative
  • lactone
  • saccharide
  • organic oxide
  • acetal
  • oxane
  • organoheterocyclic compound
  • alcohol
  • tetrahydrofuran
  • gamma butyrolactone
  • oxepane
  • oxacycle
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • carboxylic acid ester
  • secondary alcohol
  • hydrocarbon derivative
  • phenoxy compound
  • organooxygen compound