Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 06:33:27 UTC
Update Date2025-03-24 17:52:10 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00994802
Frequency1.4
Structure
Chemical FormulaC7H10O3
Molecular Mass142.063
SMILESC=CC1(C)OCC(C=O)O1
InChI KeyWQNHEWIADBZUJJ-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
  • aldehydes
  • hydrocarbon derivatives
  • organic oxides
  • oxacyclic compounds
  • Substituents
  • meta-dioxolane
  • carbonyl group
  • aldehyde
  • oxacycle
  • organic oxide
  • ketal
  • aliphatic heteromonocyclic compound
  • hydrocarbon derivative
  • organoheterocyclic compound