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Glucosinalbin

Properties Image MNX_ID MNXM1376864 reference chebi:189937 formula C14H19NO10S2 global charge 0 mol weight 425.437 InChIKey WWBNBPSEKLOHJU-BXLHIMNRSA-N 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 SMILES O=S(=O)(O)O/N=C(\Cc1ccc(O)cc1)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O MNX internals InChI (mnx) InChI=1/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 SMILES (mnx) [CH2:1]([O@:18]1[CH2:3][O@@:16]([O:19][CH3:7])[N:15]([CH3:5])[C@@H:14]([CH3:4])[O@:17]1[CH3:6])/[O:20](=[CH:13]\[CH2:8][C:2]([CH3:10])(=[CH2:11])=[CH2:12])[O:21][O:22]1=[O:23][O:25]=[S:27]([CH3:9])[SH:26]=[O:24]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0

Similar chemical compounds in external resources

Identifier	Description
CHEBI:189937 chebi:189937 WWBNBPSEKLOHJU-BXLHIMNRSA-N	Glucosinalbin [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1E)-2-(4-hydroxyphenyl)-N-sulooxyethanimidothioate