Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 05:32:16 UTC
Update Date2025-03-24 14:28:16 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00848423
Frequency1.7
Structure
Chemical FormulaC7H12O2
Molecular Mass128.0837
SMILESCC1COC=CC1(C)O
InChI KeyYRJNLVAMTVNBSJ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass alcohols and polyols
Direct Parent tertiary alcohols
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • hydrocarbon derivatives
  • oxacyclic compounds
  • Substituents
  • oxacycle
  • tertiary alcohol
  • aliphatic heteromonocyclic compound
  • hydrocarbon derivative
  • organoheterocyclic compound