Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:17:03 UTC
Update Date2025-03-21 18:34:57 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00103126
Frequency26.4
Structure
Chemical FormulaC14H20O4
Molecular Mass252.1362
SMILESCC1C(Oc2ccccc2)OC(CO)C(O)C1C
InChI KeyNLGYEPGMCCUKKL-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenol ethers
Subclass phenol ethers
Direct Parent phenol ethers
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • acetals
  • hydrocarbon derivatives
  • oxacyclic compounds
  • oxanes
  • phenoxy compounds
  • primary alcohols
  • secondary alcohols
  • Substituents
  • alcohol
  • phenol ether
  • monocyclic benzene moiety
  • aromatic heteromonocyclic compound
  • oxacycle
  • organic oxygen compound
  • acetal
  • secondary alcohol
  • hydrocarbon derivative
  • phenoxy compound
  • oxane
  • primary alcohol
  • organoheterocyclic compound
  • organooxygen compound