Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:53:58 UTC
Update Date2025-03-25 00:51:31 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02187573
Frequency0.5
Structure
Chemical FormulaC15H22O7
Molecular Mass314.1366
SMILESCC(C)(OC1OC(C(O)O)C(O)C(O)C1O)c1ccccc1
InChI KeyINQVCFYSDLJFPO-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass phenylpropanes
Direct Parent phenylpropanes
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • acetals
  • carbonyl hydrates
  • hydrocarbon derivatives
  • monosaccharides
  • oxacyclic compounds
  • oxanes
  • secondary alcohols
  • Substituents
  • alcohol
  • carbonyl hydrate
  • aromatic heteromonocyclic compound
  • monosaccharide
  • phenylpropane
  • oxacycle
  • saccharide
  • organic oxygen compound
  • acetal
  • secondary alcohol
  • hydrocarbon derivative
  • oxane
  • organoheterocyclic compound
  • organooxygen compound