Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:39:52 UTC
Update Date2025-03-25 00:46:30 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02155550
Frequency0.5
Structure
Chemical FormulaC13H18O2
Molecular Mass206.1307
SMILESCc1ccc2c(c1)CC(C(C)(C)O)OC2
InChI KeyVZFMQUISSXEANA-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzopyrans
Subclass 2-benzopyrans
Direct Parent 2-benzopyrans
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • benzenoids
  • dialkyl ethers
  • hydrocarbon derivatives
  • oxacyclic compounds
  • tertiary alcohols
  • Substituents
  • alcohol
  • ether
  • dialkyl ether
  • oxacycle
  • tertiary alcohol
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • 2-benzopyran
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound