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CHEBI:66030 - 7-hydroxy-5-hydroxymethyl-2H-benzo[1,4]thiazin-3-one

ChEBI IDCHEBI:66030
ChEBI Name7-hydroxy-5-hydroxymethyl-2H-benzo[1,4]thiazin-3-one
Stars
ASCII Name7-hydroxy-5-hydroxymethyl-2H-benzo[1,4]thiazin-3-one
DefinitionA benzothiazine that is 2H-1,4-benzothiazin-3(4H)-one substituted by a hydroxy and a hydroxymethyl group at positions 7 and 5 respectively. It is an antibacterial agent from Ampelomyces.
Last Modified25 September 2012
DownloadsMolfile
FormulaC9H9NO3S
Net Charge0
Average Mass211.242
Monoisotopic Mass211.03031
SMILESO=C1CSc2cc(O)cc(CO)c2N1
InChIInChI=1S/C9H9NO3S/c11-3-5-1-6(12)2-7-9(5)10-8(13)4-14-7/h1-2,11-12H,3-4H2,(H,10,13)
InChIKeyCZXYFHNORNVRJZ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Ampelomyces (ncbitaxon:50729) - PubMed (18603789) Strain: SC0307
Roles Classification
Biological Roles:
antibacterial agent  A substance (or active part thereof) that kills or slows the growth of bacteria.
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
7-hydroxy-5-hydroxymethyl-2H-benzo[1,4]thiazin-3-one (CHEBI:66030) has role antibacterial agent (CHEBI:33282)
7-hydroxy-5-hydroxymethyl-2H-benzo[1,4]thiazin-3-one (CHEBI:66030) has role metabolite (CHEBI:25212)
7-hydroxy-5-hydroxymethyl-2H-benzo[1,4]thiazin-3-one (CHEBI:66030) is a benzothiazine (CHEBI:46899)
7-hydroxy-5-hydroxymethyl-2H-benzo[1,4]thiazin-3-one (CHEBI:66030) is a benzyl alcohols (CHEBI:22743)
7-hydroxy-5-hydroxymethyl-2H-benzo[1,4]thiazin-3-one (CHEBI:66030) is a lactam (CHEBI:24995)
7-hydroxy-5-hydroxymethyl-2H-benzo[1,4]thiazin-3-one (CHEBI:66030) is a phenols (CHEBI:33853)
IUPAC Name 
7-hydroxy-5-(hydroxymethyl)-2H-1,4-benzothiazin-3(4H)-one
Registry NumbersSources
Reaxys:18590033Reaxys
Citations