Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:44:34 UTC
Update Date2025-03-25 00:48:05 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02166072
Frequency0.5
Structure
Chemical FormulaC8H14O4
Molecular Mass174.0892
SMILESCC1OC(C)(C)OC1C(=O)CO
InChI KeyYESJOPIFSAWXHU-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
  • alcohols and polyols
  • hydrocarbon derivatives
  • ketones
  • organic oxides
  • oxacyclic compounds
  • Substituents
  • alcohol
  • meta-dioxolane
  • carbonyl group
  • ketone
  • oxacycle
  • organic oxide
  • ketal
  • aliphatic heteromonocyclic compound
  • hydrocarbon derivative
  • organoheterocyclic compound