1.0 2026-09-22 00:03:25 UTC 2026-09-22 00:04:16 UTC FDB117348 Glucosinolate [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1Z)-2-(4-hydroxyphenyl)-N-sulfooxyethanimidothioate [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl] (1Z)-2-(4-hydroxyphenyl)-N-sulfooxy-ethanimidothioate C14H19NO10S2 425.4 425.04503815 C1=CC(=CC=C1CC(=NOS(=O)(=O)O)SC2C(C(C(C(O2)CO)O)O)O)O InChI=1S/C14H19NO10S2/c16-6-9-11(18)12(19)13(20)14(24-9)26-10(15-25-27(21,22)23)5-7-1-3-8(17)4-2-7/h1-4,9,11-14,16-20H,5-6H2,(H,21,22,23)/b15-10-/t9-,11-,12+,13-,14+/m1/s1 WWBNBPSEKLOHJU-RFEZBLSLSA-N average_mass 425.4 ChemAxon mono_mass 425.04503815 ChemAxon smiles C1=CC(=CC=C1CC(=NOS(=O)(=O)O)SC2C(C(C(C(O2)CO)O)O)O)O ChemAxon formula C14H19NO10S2 ChemAxon inchi InChI=1S/C14H19NO10S2/c16-6-9-11(18)12(19)13(20)14(24-9)26-10(15-25-27(21,22)23)5-7-1-3-8(17)4-2-7/h1-4,9,11-14,16-20H,5-6H2,(H,21,22,23)/b15-10-/t9-,11-,12+,13-,14+/m1/s1 ChemAxon inchikey WWBNBPSEKLOHJU-RFEZBLSLSA-N ChemAxon