Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 02:49:46 UTC
Update Date2025-03-21 21:59:09 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00461112
Frequency3.8
Structure
Chemical FormulaC9H12O
Molecular Mass136.0888
SMILESCC1(C)C2C=CC3(C2)OC31
InChI KeyXZHGXHVKUVHWNY-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classoxanes
Subclass oxanes
Direct Parent oxanes
Geometric Descriptor aliphatic heteropolycyclic compounds
Alternative Parents
  • dialkyl ethers
  • epoxides
  • hydrocarbon derivatives
  • oxacyclic compounds
  • Substituents
  • aliphatic heteropolycyclic compound
  • oxacycle
  • ether
  • organic oxygen compound
  • oxirane
  • hydrocarbon derivative
  • oxane
  • dialkyl ether
  • organooxygen compound