Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 12:01:22 UTC
Update Date2025-03-24 21:26:41 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01780440
Frequency0.7
Structure
Chemical FormulaC8H14O2
Molecular Mass142.0994
SMILESCC1C=CCCC(C)(O)O1
InChI KeyVAKIBNNNXCHMCH-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass ethers
Direct Parent hemiacetals
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • hydrocarbon derivatives
  • organooxygen compounds
  • oxacyclic compounds
  • Substituents
  • oxacycle
  • aliphatic heteromonocyclic compound
  • hemiacetal
  • hydrocarbon derivative
  • organoheterocyclic compound