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CHEBI:187131 - (E)-4-(6-methyl-1,2-dithiin-3-yl)but-1-en-3-yn-1-yl acetate

ChEBI IDCHEBI:187131
ChEBI Name(E)-4-(6-methyl-1,2-dithiin-3-yl)but-1-en-3-yn-1-yl acetate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC11H10O2S2
Net Charge0
Average Mass238.333
Monoisotopic Mass238.01222
SMILESCC(=O)O/C=C/C#CC1=CC=C(C)SS1
InChIInChI=1S/C11H10O2S2/c1-9-6-7-11(15-14-9)5-3-4-8-13-10(2)12/h4,6-8H,1-2H3/b8-4+
InChIKeyYSTPFCQUDPONSV-XBXARRHUSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
(E)-4-(6-methyl-1,2-dithiin-3-yl)but-1-en-3-yn-1-yl acetate (CHEBI:187131) is a organosulfur heterocyclic compound (CHEBI:38106)
IUPAC Name 
[(E)-4-(6-methyldithiin-3-yl)but-1-en-3-ynyl] acetate
Manual XrefsDatabases
LMFA12000368LIPID MAPS
113368948ChemSpider