3-sinapoyloxypropylglucosinolate

Properties Image Occurences in reactions MNX_ID MNXM14637 #reac in my sandbox 0 in MNXref (generic) 1 in models (compartimentalized) 0 formula C21H28NO14S2 charge -1 mass 582.09567 reference metacycM:CPD-12417 InChIKey ZXNGTIMPVQJBQY-GQCUBUKLSA-M InChI InChI=1S/C21H29NO14S2/c1-32-12-8-11(9-13(33-2)17(12)25)5-6-16(24)34-7-3-4-15(22-36-38(29,30)31)37-21-20(28)19(27)18(26)14(10-23)35-21/h5-6,8-9,14,18-21,23,25-28H,3-4,7,10H2,1-2H3,(H,29,30,31)/p-1/b6-5+,22-15+/t14-,18-,19+,20-,21+/m1/s1 SMILES COc1cc(/C=C/C(=O)OCCC/C(=N\OS(=O)(=O)[O-])S[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1O

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Deprecated MNXref IDs graph