Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:55:30 UTC
Update Date2025-03-25 00:52:02 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02190988
Frequency0.5
Structure
Chemical FormulaC11H18O3
Molecular Mass198.1256
SMILESC=CC1(C)CC=CC(C(C)(O)CO)O1
InChI KeyNBWIVBWBVSQIPI-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrans
Subclass pyrans
Direct Parent pyrans
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • 1,2-diols
  • dialkyl ethers
  • hydrocarbon derivatives
  • oxacyclic compounds
  • tertiary alcohols
  • Substituents
  • alcohol
  • ether
  • dialkyl ether
  • oxacycle
  • tertiary alcohol
  • organic oxygen compound
  • pyran
  • aliphatic heteromonocyclic compound
  • hydrocarbon derivative
  • organooxygen compound
  • 1,2-diol