Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:21:58 UTC
Update Date2025-03-21 18:37:20 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00115135
Frequency22.9
Structure
Chemical FormulaC11H14O
Molecular Mass162.1045
SMILESCc1cc(C)c2c(c1)OCC2C
InChI KeyYXJHWXDCUMVJIX-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