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

Default Structure
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:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
antibacterial agent  A substance (or active part thereof) that kills or slows the growth of bacteria.
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