Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:14:13 UTC
Update Date2025-03-25 00:58:56 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02233796
Frequency0.5
Structure
Chemical FormulaC11H15NO2
Molecular Mass193.1103
SMILESCC1(CN)CCc2cc(O)ccc2O1
InChI KeySKBYCSWJIAXRKJ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzopyrans
Subclass 1-benzopyrans
Direct Parent 1-benzopyrans
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • alkyl aryl ethers
  • benzenoids
  • hydrocarbon derivatives
  • monoalkylamines
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • Substituents
  • ether
  • 1-benzopyran
  • 1-hydroxy-2-unsubstituted benzenoid
  • alkyl aryl ether
  • oxacycle
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • primary aliphatic amine
  • organic nitrogen compound
  • organooxygen compound