Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:18:54 UTC
Update Date2025-03-21 18:35:51 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00107657
Frequency25.0
Structure
Chemical FormulaC15H14O
Molecular Mass210.1045
SMILESc1ccc(CC2OCc3ccccc32)cc1
InChI KeyCICJBRRPVIYAQK-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classisocoumarans
Subclass isocoumarans
Direct Parent isocoumarans
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • benzene and substituted derivatives
  • dialkyl ethers
  • hydrocarbon derivatives
  • oxacyclic compounds
  • Substituents
  • oxacycle
  • monocyclic benzene moiety
  • ether
  • isocoumaran
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • hydrocarbon derivative
  • benzenoid
  • dialkyl ether
  • organooxygen compound