Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:11:13 UTC
Update Date2025-03-25 00:57:51 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02227099
Frequency0.5
Structure
Chemical FormulaC14H20O4
Molecular Mass252.1362
SMILESCC(C)c1ccccc1C1OC(CO)C(O)C1O
InChI KeyFPBVTBVQZJIHCV-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass cumenes
Direct Parent cumenes
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • dialkyl ethers
  • hydrocarbon derivatives
  • monosaccharides
  • oxacyclic compounds
  • phenylpropanes
  • primary alcohols
  • secondary alcohols
  • tetrahydrofurans
  • Substituents
  • alcohol
  • ether
  • aromatic heteromonocyclic compound
  • tetrahydrofuran
  • monosaccharide
  • dialkyl ether
  • phenylpropane
  • oxacycle
  • saccharide
  • organic oxygen compound
  • secondary alcohol
  • cumene
  • hydrocarbon derivative
  • primary alcohol
  • organoheterocyclic compound
  • organooxygen compound