Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:06:03 UTC
Update Date2025-03-25 00:55:58 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02215293
Frequency0.5
Structure
Chemical FormulaC16H26O4
Molecular Mass282.1831
SMILESCC1=CCCC(C)(C)C12OC(CCC(=O)O)C(C)(C)O2
InChI KeyHVDMVPZXVHGWOZ-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 acids
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • oxacyclic compounds
  • Substituents
  • meta-dioxolane
  • carbonyl group
  • carboxylic acid
  • carboxylic acid derivative
  • oxacycle
  • organic oxide
  • monocarboxylic acid or derivatives
  • ketal
  • aliphatic heteromonocyclic compound
  • hydrocarbon derivative
  • organoheterocyclic compound