Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:05:12 UTC
Update Date2025-03-25 00:55:38 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02213400
Frequency0.5
Structure
Chemical FormulaC18H21NO3
Molecular Mass299.1521
SMILESCN(C)CCCC1c2ccc(O)cc2Oc2cc(O)ccc21
InChI KeyDNESWRBKZBIUQA-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzopyrans
Subclass 1-benzopyrans
Direct Parent xanthenes
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • benzenoids
  • diarylethers
  • hydrocarbon derivatives
  • organopnictogen compounds
  • oxacyclic compounds
  • trialkylamines
  • Substituents
  • diaryl ether
  • ether
  • tertiary aliphatic amine
  • 1-hydroxy-2-unsubstituted benzenoid
  • xanthene
  • oxacycle
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • amine
  • tertiary amine
  • organooxygen compound