Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 06:38:53 UTC
Update Date2025-03-24 17:54:42 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01007688
Frequency1.4
Structure
Chemical FormulaC8H14O2
Molecular Mass142.0994
SMILESCC1OCC(C)(C)CC1=O
InChI KeyKCZSHNSZCYUQMN-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classoxanes
Subclass oxanes
Direct Parent oxanes
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • cyclic ketones
  • dialkyl ethers
  • hydrocarbon derivatives
  • organic oxides
  • oxacyclic compounds
  • Substituents
  • carbonyl group
  • ether
  • cyclic ketone
  • dialkyl ether
  • ketone
  • oxacycle
  • organic oxide
  • organic oxygen compound
  • aliphatic heteromonocyclic compound
  • hydrocarbon derivative
  • oxane
  • organooxygen compound