ergothioneine

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IUPAC Name :(2S)-3-(2-sulfanylidene-1,3-dihydroimidazol-4-yl)-2-(trimethylazaniumyl)propanoate
InChI :InChI=1/C9H15N3O2S/c1-12(2,3)7(8(13)14)4-6-5-10-9(15)11-6/h5,7H,4H2,1-3H3,(H2-,10,11,13,14,15)/t7-/m0/s1
Std.InChI: InChI=1S/C9H15N3O2S/c1-12(2,3)7(8(13)14)4-6-5-10-9(15)11-6/h5,7H,4H2,1-3H3,(H2-,10,11,13,14,15)/t7-/m0/s1
InChIKey :SSISHJJTAXXQAX-ZETCQYMHBA
Std.InChIKey: SSISHJJTAXXQAX-ZETCQYMHSA-N
SMILES :C[N+](C)(C)[C@@H](CC1=CNC(=S)N1)C(=O)[O-]
MDL: MFCD00167474