Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:56:38 UTC
Update Date2025-03-21 18:05:01 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00054206
Frequency59.4
Structure
Chemical FormulaC13H16O
Molecular Mass188.1201
SMILESCc1cc2c(cc1C)OC(C)(C)C=C2
InChI KeyLYAQNYTVQLTRBA-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzopyrans
Subclass 1-benzopyrans
Direct Parent 2,2-dimethyl-1-benzopyrans
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • benzenoids
  • hydrocarbon derivatives
  • oxacyclic compounds
  • Substituents
  • ether
  • 2,2-dimethyl-1-benzopyran
  • alkyl aryl ether
  • oxacycle
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound