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CHEBI:183452 - bicyclo[2.2.2]oct-2-en-1-yl 4-methylbenzene-1-sulfonate

ChEBI IDCHEBI:183452
ChEBI Namebicyclo[2.2.2]oct-2-en-1-yl 4-methylbenzene-1-sulfonate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H18O3S
Net Charge0
Average Mass278.373
Monoisotopic Mass278.09767
SMILESCc1ccc(S(=O)(=O)OC23C=CC(CC2)CC3)cc1
InChIInChI=1S/C15H18O3S/c1-12-2-4-14(5-3-12)19(16,17)18-15-9-6-13(7-10-15)8-11-15/h2-6,9,13H,7-8,10-11H2,1H3
InChIKeyNDXFVKUYBIAXDF-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Bombus terrestris (ncbitaxon:30195)
hemolymph (BTO:0000572) MetaboLights (MTBLS3637)
brain (BTO:0000142) MetaboLights (MTBLS3637)
hindgut (BTO:0000510) MetaboLights (MTBLS3637)
ChEBI Ontology
Outgoing Relation(s)
bicyclo[2.2.2]oct-2-en-1-yl 4-methylbenzene-1-sulfonate (CHEBI:183452) is a benzenesulfonate ester (CHEBI:83352)
IUPAC Name 
1-bicyclo[2.2.2]oct-2-enyl 4-methylbenzenesulonate
Manual XrefsDatabases
2103331ChemSpider