Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:26:35 UTC
Update Date2025-03-21 18:39:30 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00126035
Frequency20.3
Structure
Chemical FormulaC14H13NOS
Molecular Mass243.0718
SMILESOc1ccc(C2CSc3ccccc3N2)cc1
InChI KeyDOURTGQLDVJUDA-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzothiazines
Subclass benzothiazines
Direct Parent benzothiazines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1,4-thiazines
  • 1-hydroxy-2-unsubstituted benzenoids
  • alkylarylthioethers
  • azacyclic compounds
  • benzene and substituted derivatives
  • hydrocarbon derivatives
  • organooxygen compounds
  • organopnictogen compounds
  • secondary alkylarylamines
  • Substituents
  • monocyclic benzene moiety
  • para-thiazine
  • azacycle
  • 1-hydroxy-2-unsubstituted benzenoid
  • benzothiazine
  • secondary amine
  • alkylarylthioether
  • aryl thioether
  • secondary aliphatic/aromatic amine
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • thioether
  • organonitrogen compound
  • organopnictogen compound
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • amine
  • organooxygen compound