| Properties | Image |
|---|
| MNX_ID | MNXM16695 |
 |
| reference | seedM:cpd26722 |
| formula | C14H20NO18S2 |
| global charge | -3 |
| mol weight | 554.437 |
| InChIKey | KYXFEXHDCVKJRO-WUDOWALASA-K |
| InChI | InChI=1S/C14H23NO18S2/c1-3(17)15-5-9(8(32-34(23,24)25)4(2-16)29-13(5)22)30-14-11(33-35(26,27)28)7(19)6(18)10(31-14)12(20)21/h4-11,13-14,16,18-19,22H,2H2,1H3,(H,15,17)(H,20,21)(H,23,24,25)(H,26,27,28)/p-3/t4-,5-,6+,7+,8+,9-,10+,11-,13-,14-/m1/s1 |
| SMILES | CC(=O)N[C@@H]1[C@@H](O[C@@H]2O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]2OS(=O)(=O)[O-])[C@@H](OS(=O)(=O)[O-])[C@@H](CO)O[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C14H23NO18S2/c1-3(17)15-5-9(8(32-34(23,24)25)4(2-16)29-13(5)22)30-14-11(33-35(26,27)28)7(19)6(18)10(31-14)12(20)21/h4-11,13-14,16,18-19,22H,2H2,1H3,(H,15,17)(H,20,21)(H,23,24,25)(H,26,27,28)/t4-,5-,6+,7+,8+,9-,10+,11-,13-,14-/m1/s1 |
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| SMILES (mnx) | [CH3:1][C:3](=[N:15][C@@H:5]1[C@@H:9]([O:30][C@H:14]2[C@H:11]([O:33][S:35]([OH:26])(=[O:27])=[O:28])[C@@H:7]([OH:19])[C@H:6]([OH:18])[C@@H:10]([C:12](=[O:20])[OH:21])[O:31]2)[C@@H:8]([O:32][S:34]([OH:23])(=[O:24])=[O:25])[C@@H:4]([CH2:2][OH:16])[O:29][C@H:13]1[OH:22])[OH:17] |
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