Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:52:28 UTC
Update Date2025-03-21 18:03:28 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00044497
Frequency76.0
Structure
Chemical FormulaC11H14O
Molecular Mass162.1045
SMILESCc1ccc2c(c1)OCC2(C)C
InChI KeyYBZILOLSISMASM-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