Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:47:20 UTC
Update Date2025-03-25 00:49:09 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02172354
Frequency0.5
Structure
Chemical FormulaC13H18O
Molecular Mass190.1358
SMILESCCC1c2c(C)cc(C)cc2OC1C
InChI KeyRLAZRFOOXGZYFX-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classcoumarans
Subclass coumarans
Direct Parent coumarans
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • benzenoids
  • hydrocarbon derivatives
  • oxacyclic compounds
  • Substituents
  • oxacycle
  • ether
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • hydrocarbon derivative
  • benzenoid
  • alkyl aryl ether
  • coumaran
  • organooxygen compound