{[(e)-[2-(4-{[5-(acetyloxy)-3,4-dihydroxy-6-methyloxan-2-yl]oxy}phenyl)-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}ethylidene]amino]oxy}sulfonic acid

Properties Image MNX_ID MNXM126140 reference chebi:185253 formula C22H31NO15S2 global charge 0 mol weight 613.616 InChIKey GYVDCHYBTDOMRS-OEAKJJBVSA-N InChI InChI=1S/C22H31NO15S2/c1-9-20(35-10(2)25)17(28)18(29)21(34-9)36-12-5-3-11(4-6-12)7-14(23-38-40(31,32)33)39-22-19(30)16(27)15(26)13(8-24)37-22/h3-6,9,13,15-22,24,26-30H,7-8H2,1-2H3,(H,31,32,33)/b23-14+ SMILES CC(=O)OC1C(C)OC(OC2=CC=C(C/C(=N\OS(=O)(=O)O)SC3OC(CO)C(O)C(O)C3O)C=C2)C(O)C1O MNX internals InChI (mnx) InChI=1/C22H31NO15S2/c1-9-20(35-10(2)25)17(28)18(29)21(34-9)36-12-5-3-11(4-6-12)7-14(23-38-40(31,32)33)39-22-19(30)16(27)15(26)13(8-24)37-22/h3-6,9,13,15-22,24,26-30H,7-8H2,1-2H3,(H,31,32,33)/b23-14+/t9?,13?,15?,16?,17?,18?,19?,20?,21?,22? SMILES (mnx) [CH3:1][CH:9]1[CH:20]([O:35][C:10]([CH3:2])=[O:25])[CH:17]([OH:28])[CH:18]([OH:29])[CH:21]([O:36][C:12]2=[CH:6][CH:4]=[C:11]([CH2:7]/[C:14](=[N:23]\[O:38][S:40]([OH:31])(=[O:32])=[O:33])[S:39][CH:22]3[CH:19]([OH:30])[CH:16]([OH:27])[CH:15]([OH:26])[CH:13]([CH2:8][OH:24])[O:37]3)[CH:3]=[CH:5]2)[O:34]1

Parent-child relations graph

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