Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:50:57 UTC
Update Date2025-03-25 00:50:24 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02180702
Frequency0.5
Structure
Chemical FormulaC18H28O4
Molecular Mass308.1988
SMILESCc1c(C)c2c(c(C)c1O)COC(C)(CCCC(C)(C)O)O2
InChI KeyUPKMYAJWYGBKAS-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzodioxanes
Subclass benzo-1,3-dioxanes
Direct Parent benzo-1,3-dioxanes
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • benzenoids
  • hydrocarbon derivatives
  • ketals
  • oxacyclic compounds
  • tertiary alcohols
  • Substituents
  • alcohol
  • benzo-1,3-dioxane
  • oxacycle
  • tertiary alcohol
  • organic oxygen compound
  • acetal
  • aromatic heteropolycyclic compound
  • ketal
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound