Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:46:43 UTC
Update Date2025-03-21 18:01:03 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00030647
Frequency121.2
Structure
Chemical FormulaC13H20O
Molecular Mass192.1514
SMILESCC(C)(C)CC(C)(O)c1ccccc1
InChI KeyDAYWTHUMKWXKAA-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass benzene and substituted derivatives
Direct Parent benzene and substituted derivatives
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • aromatic alcohols
  • hydrocarbon derivatives
  • tertiary alcohols
  • Substituents
  • aromatic alcohol
  • alcohol
  • aromatic homomonocyclic compound
  • monocyclic benzene moiety
  • tertiary alcohol
  • organic oxygen compound
  • hydrocarbon derivative
  • organooxygen compound