Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:13:09 UTC
Update Date2025-03-25 00:58:32 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02231342
Frequency0.5
Structure
Chemical FormulaC12H24O2
Molecular Mass200.1776
SMILESCC1CCC(C(O)C(C)(C)CO)CC1
InChI KeyNISUCYXDLVTSIC-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass alcohols and polyols
Direct Parent secondary alcohols
Geometric Descriptor aliphatic homomonocyclic compounds
Alternative Parents
  • hydrocarbon derivatives
  • Substituents
  • secondary alcohol
  • aliphatic homomonocyclic compound
  • hydrocarbon derivative