Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:56:40 UTC
Update Date2025-03-25 00:52:25 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02193593
Frequency0.5
Structure
Chemical FormulaC11H15NO3
Molecular Mass209.1052
SMILESCN(C)C1Cc2cc(O)c(O)cc2CO1
InChI KeyPWBWKEALSFSMPU-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzopyrans
Subclass 2-benzopyrans
Direct Parent 2-benzopyrans
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • benzenoids
  • hemiaminals
  • hydrocarbon derivatives
  • organonitrogen compounds
  • organooxygen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • Substituents
  • 1-hydroxy-2-unsubstituted benzenoid
  • hemiaminal
  • oxacycle
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • 2-benzopyran
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • organooxygen compound