Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:12:32 UTC
Update Date2025-03-25 00:58:19 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02229947
Frequency0.5
Structure
Chemical FormulaC10H18O3
Molecular Mass186.1256
SMILESCCCCCC1(C)OC(=O)C(C)O1
InChI KeyJPDNPUFNTUKRLU-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass ethers
Direct Parent ketals
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • 1,3-dioxolanes
  • carbonyl compounds
  • carboxylic acid esters
  • hydrocarbon derivatives
  • lactones
  • monocarboxylic acids and derivatives
  • organic oxides
  • oxacyclic compounds
  • Substituents
  • meta-dioxolane
  • carbonyl group
  • carboxylic acid derivative
  • lactone
  • oxacycle
  • organic oxide
  • monocarboxylic acid or derivatives
  • ketal
  • carboxylic acid ester
  • aliphatic heteromonocyclic compound
  • hydrocarbon derivative
  • organoheterocyclic compound