Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:19:18 UTC
Update Date2025-03-25 01:00:53 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02245480
Frequency0.5
Structure
Chemical FormulaC12H17NO
Molecular Mass191.131
SMILESCCN(CC)C1Cc2ccccc2O1
InChI KeyVWDACLBZGHYPJK-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classcoumarans
Subclass coumarans
Direct Parent coumarans
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • benzenoids
  • hydrocarbon derivatives
  • organonitrogen compounds
  • organooxygen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • Substituents
  • oxacycle
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • coumaran
  • organooxygen compound