Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:57:27 UTC
Update Date2025-03-25 00:52:41 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02195361
Frequency0.5
Structure
Chemical FormulaC14H22O2
Molecular Mass222.162
SMILESCC1=CCCC(C)(C)C12OCC(C)(C)C2=O
InChI KeyWAFMBCXYKLQUBZ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdihydrofurans
Subclass furanones
Direct Parent furanones
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • dialkyl ethers
  • hydrocarbon derivatives
  • ketones
  • organic oxides
  • oxacyclic compounds
  • tetrahydrofurans
  • Substituents
  • carbonyl group
  • ether
  • tetrahydrofuran
  • dialkyl ether
  • ketone
  • oxacycle
  • organic oxide
  • organic oxygen compound
  • aliphatic heteromonocyclic compound
  • hydrocarbon derivative
  • 3-furanone
  • organooxygen compound