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CHEBI:188387 - Terbutaline-1-sulfate

ChEBI IDCHEBI:188387
ChEBI NameTerbutaline-1-sulfate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H19NO6S
Net Charge0
Average Mass305.352
Monoisotopic Mass305.09331
SMILESCC(C)(C)NCC(OS(=O)(=O)O)c1cc(O)cc(O)c1
InChIInChI=1S/C12H19NO6S/c1-12(2,3)13-7-11(19-20(16,17)18)8-4-9(14)6-10(15)5-8/h4-6,11,13-15H,7H2,1-3H3,(H,16,17,18)
InChIKeyCFUSMTBQBWPGOZ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) blood serum (BTO:0000133) MetaboLights (MTBLS3886)
ChEBI Ontology
Outgoing Relation(s)
Terbutaline-1-sulfate (CHEBI:188387) is a resorcinols (CHEBI:33572)
IUPAC Name 
[2-(tert-butylamino)-1-(3,5-dihydroxyphenyl)ethyl] hydrogen sulate
Manual XrefsDatabases
52083823ChemSpider
Registry NumbersSources
CAS:1273567-75-1ChemIDplus