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CHEBI:103883 - 3,5,7-trimethyl-1-adamantanecarboxylic acid 2-(4-methyl-3-phenacyl-5-thiazol-3-iumyl)ethyl ester

ChEBI IDCHEBI:103883
ChEBI Name3,5,7-trimethyl-1-adamantanecarboxylic acid 2-(4-methyl-3-phenacyl-5-thiazol-3-iumyl)ethyl ester
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DownloadsMolfile
FormulaC28H36NO3S
Net Charge+1
Average Mass466.667
Monoisotopic Mass466.24104
SMILESCc1c(CCOC(=O)C23CC4(C)CC(C)(CC(C)(C4)C2)C3)sc[n+]1CC(=O)c1ccccc1
InChIInChI=1S/C28H36NO3S/c1-20-23(33-19-29(20)12-22(30)21-8-6-5-7-9-21)10-11-32-24(31)28-16-25(2)13-26(3,17-28)15-27(4,14-25)18-28/h5-9,19H,10-18H2,1-4H3/q+1
InChIKeyXUFGIZSDNNALQR-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
3,5,7-trimethyl-1-adamantanecarboxylic acid 2-(4-methyl-3-phenacyl-5-thiazol-3-iumyl)ethyl ester (CHEBI:103883) is a aromatic ketone (CHEBI:76224)
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LSM-15236LINCS