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CHEBI:103856 - 2-(1-adamantyl)acetic acid 2-[3-[2-(4-bromophenyl)-2-oxoethyl]-4-methyl-5-thiazol-3-iumyl]ethyl ester

ChEBI IDCHEBI:103856
ChEBI Name2-(1-adamantyl)acetic acid 2-[3-[2-(4-bromophenyl)-2-oxoethyl]-4-methyl-5-thiazol-3-iumyl]ethyl ester
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FormulaC26H31BrNO3S
Net Charge+1
Average Mass517.509
Monoisotopic Mass516.12025
SMILESCc1c(CCOC(=O)CC23CC4CC(CC(C4)C2)C3)sc[n+]1CC(=O)c1ccc(Br)cc1
InChIInChI=1S/C26H31BrNO3S/c1-17-24(32-16-28(17)15-23(29)21-2-4-22(27)5-3-21)6-7-31-25(30)14-26-11-18-8-19(12-26)10-20(9-18)13-26/h2-5,16,18-20H,6-15H2,1H3/q+1
InChIKeyNOLFVWIVGUIDAF-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
2-(1-adamantyl)acetic acid 2-[3-[2-(4-bromophenyl)-2-oxoethyl]-4-methyl-5-thiazol-3-iumyl]ethyl ester (CHEBI:103856) is a aromatic ketone (CHEBI:76224)
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