Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:03:25 UTC
Update Date2025-03-25 00:54:52 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02209121
Frequency0.5
Structure
Chemical FormulaC10H16O4
Molecular Mass200.1049
SMILESCC1(OC(=O)C(C)(C)C)COC(=O)C1
InChI KeyYQDKJDPRHRXPOM-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classlactones
Subclass gamma butyrolactones
Direct Parent gamma butyrolactones
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • carbonyl compounds
  • carboxylic acid esters
  • dicarboxylic acids and derivatives
  • hydrocarbon derivatives
  • organic oxides
  • oxacyclic compounds
  • tetrahydrofurans
  • Substituents
  • carbonyl group
  • tetrahydrofuran
  • carboxylic acid derivative
  • gamma butyrolactone
  • oxacycle
  • organic oxide
  • organic oxygen compound
  • carboxylic acid ester
  • aliphatic heteromonocyclic compound
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative
  • organooxygen compound