Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:55:31 UTC
Update Date2025-03-25 00:52:01 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02191011
Frequency0.5
Structure
Chemical FormulaC10H16O4
Molecular Mass200.1049
SMILESC=CC1(C)CCC(C(O)(O)C(C)=O)O1
InChI KeyFXHJBIVDXGYLKT-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent acyloins
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • alpha-hydroxy ketones
  • carbonyl hydrates
  • dialkyl ethers
  • hydrocarbon derivatives
  • organic oxides
  • oxacyclic compounds
  • tetrahydrofurans
  • Substituents
  • ether
  • carbonyl hydrate
  • tetrahydrofuran
  • alpha-hydroxy ketone
  • dialkyl ether
  • ketone
  • oxacycle
  • organic oxide
  • acyloin
  • aliphatic heteromonocyclic compound
  • hydrocarbon derivative
  • organoheterocyclic compound