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CHEBI:170029 - 3-[(dimethylamino)methylene]-1H-2-benzothiopyran-4(3H)-one

ChEBI IDCHEBI:170029
ChEBI Name3-[(dimethylamino)methylene]-1H-2-benzothiopyran-4(3H)-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H13NOS
Net Charge0
Average Mass219.309
Monoisotopic Mass219.07179
SMILESCN(C)C=C1SCc2ccccc2C1=O
InChIInChI=1S/C12H13NOS/c1-13(2)7-11-12(14)10-6-4-3-5-9(10)8-15-11/h3-7H,8H2,1-2H3
InChIKeyYYXKARVPIMCRPA-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Pseudomonas aeruginosa (ncbitaxon:287)
Culture media, conditioned (OMIT:0017487) MetaboLights (MTBLS2105)
Culture media, conditioned (OMIT:0017487) MetaboLights (MTBLS2105) Strain: Pseudomonas aeruginosa UCBPP-PA14 [NCBI:txid208963]
Pseudomonas aeruginosa/Staphylococcus aureus (ncbitaxon:1280) Culture media, conditioned (OMIT:0017487) MetaboLights (MTBLS2105)
unidentified (ncbitaxon:32644) Culture media, conditioned (OMIT:0017487) MetaboLights (MTBLS2105)
Staphylococcus aureus (ncbitaxon:1280)
Culture media, conditioned (OMIT:0017487) MetaboLights (MTBLS2105)
Culture media, conditioned (OMIT:0017487) MetaboLights (MTBLS2105) Strain: Staphylococcus aureus subsp. aureus USA300 [NCBI:txid367830]
ChEBI Ontology
Outgoing Relation(s)
3-[(dimethylamino)methylene]-1H-2-benzothiopyran-4(3H)-one (CHEBI:170029) is a organic heterobicyclic compound (CHEBI:27171)
3-[(dimethylamino)methylene]-1H-2-benzothiopyran-4(3H)-one (CHEBI:170029) is a organosulfur heterocyclic compound (CHEBI:38106)
IUPAC Name 
3-(dimethylaminomethylidene)-1H-isothiochromen-4-one
Manual XrefsDatabases
3007206ChemSpider