Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:57:55 UTC
Update Date2025-03-21 18:05:29 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00057232
Frequency55.5
Structure
Chemical FormulaC9H16O2
Molecular Mass156.115
SMILESCC1=CCC(C(C)(C)O)OC1
InChI KeyAHMDWEKMMKVBLG-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrans
Subclass pyrans
Direct Parent pyrans
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • dialkyl ethers
  • hydrocarbon derivatives
  • oxacyclic compounds
  • tertiary alcohols
  • Substituents
  • alcohol
  • oxacycle
  • tertiary alcohol
  • ether
  • organic oxygen compound
  • pyran
  • aliphatic heteromonocyclic compound
  • hydrocarbon derivative
  • dialkyl ether
  • organooxygen compound