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CHEBI:198821 - Anithiactin A

ChEBI IDCHEBI:198821
ChEBI NameAnithiactin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H12N2O2S
Net Charge0
Average Mass248.307
Monoisotopic Mass248.06195
SMILESCNc1ccccc1-c1nc(C(=O)OC)cs1
InChIInChI=1S/C12H12N2O2S/c1-13-9-6-4-3-5-8(9)11-14-10(7-17-11)12(15)16-2/h3-7,13H,1-2H3
InChIKeyGADWTAUYJRJWRT-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Actinomycetospora (ncbitaxon:402649) - PubMed (25455147)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Anithiactin A (CHEBI:198821) is a aromatic carboxylic acid (CHEBI:33859)
Anithiactin A (CHEBI:198821) is a thiazoles (CHEBI:48901)
IUPAC Name 
methyl 2-[2-(methylamino)phenyl]-1,3-thiazole-4-carboxylate
Manual XrefsDatabases
34981156ChemSpider