Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 04:28:46 UTC
Update Date2025-03-21 23:18:25 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00695273
Frequency2.2
Structure
Chemical FormulaC7H14O2
Molecular Mass130.0994
SMILESC=C(C)C(O)CC(C)O
InChI KeyJQMNMFOMENBSIQ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass alcohols and polyols
Direct Parent secondary alcohols
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • hydrocarbon derivatives
  • Substituents
  • aliphatic acyclic compound
  • secondary alcohol
  • hydrocarbon derivative