Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 16:08:48 UTC
Update Date2025-03-25 01:19:34 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02359292
Frequency0.5
Structure
Chemical FormulaC8H16O2
Molecular Mass144.115
SMILESC=C(CC(O)CCC)OC
InChI KeyPATSBCCXPQEGTC-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