Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:23:41 UTC
Update Date2025-03-21 18:38:09 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00119270
Frequency21.9
Structure
Chemical FormulaC9H16O2
Molecular Mass156.115
SMILESCC12CCC(CC1)C(C)(O)O2
InChI KeyWJQUZXXVAUGKDO-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classoxanes
Subclass oxanes
Direct Parent oxanes
Geometric Descriptor aliphatic heteropolycyclic compounds
Alternative Parents
  • hemiacetals
  • hydrocarbon derivatives
  • organooxygen compounds
  • oxacyclic compounds
  • Substituents
  • aliphatic heteropolycyclic compound
  • oxacycle
  • organic oxygen compound
  • hemiacetal
  • hydrocarbon derivative
  • oxane
  • organooxygen compound