| Properties | Image |
|---|
| MNX_ID | MNXM11778 |
 |
| reference | biggM:hs |
| formula | C13H18NO20S3* |
| global charge | -4 |
| mol weight | |
| InChIKey | |
| InChI | |
| SMILES | [*]O[C@H]1[C@H](O)[C@@H](OS(=O)(=O)[O-])[C@H](O[C@H]2[C@H](O)[C@@H](NS(=O)(=O)[O-])[C@@H](OC)O[C@@H]2COS(=O)(=O)[O-])O[C@H]1C(=O)[O-] |
MNX internals
| InChI (mnx) | InChI=1/C14H25NO20S3/c1-29-9-7(17)10(35-38(26,27)28)14(34-11(9)12(18)19)33-8-4(3-31-37(23,24)25)32-13(30-2)5(6(8)16)15-36(20,21)22/h4-11,13-17H,3H2,1-2H3,(H,18,19)(H,20,21,22)(H,23,24,25)(H,26,27,28)/t4-,5-,6-,7+,8-,9+,10-,11-,13+,14-/m1/s1/i1+1 |
 |
| SMILES (mnx) | [13CH3:1][O:29][C@H:9]1[C@H:7]([OH:17])[C@@H:10]([O:35][S:38]([OH:26])(=[O:27])=[O:28])[C@H:14]([O:33][C@@H:8]2[C@@H:4]([CH2:3][O:31][S:37]([OH:23])(=[O:24])=[O:25])[O:32][C@H:13]([O:30][CH3:2])[C@H:5]([NH:15][S:36]([OH:20])(=[O:21])=[O:22])[C@H:6]2[OH:16])[O:34][C@H:11]1[C:12](=[O:18])[OH:19] |
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