| Properties | Image |
|---|
| MNX_ID | MNXM1106987 |
 |
| reference | metacycM:CPD-13453 |
| formula | C12H19O20S3 |
| global charge | -3 |
| mol weight | 579.465 |
| InChIKey | RHDWPJKPWCDPBP-JZSVMVJISA-K |
| InChI | InChI=1S/C12H22O20S3/c13-1-3-6(15)8(10(11(17)28-3)32-35(24,25)26)30-12-9(31-34(21,22)23)7(16)5(14)4(29-12)2-27-33(18,19)20/h3-17H,1-2H2,(H,18,19,20)(H,21,22,23)(H,24,25,26)/p-3/t3-,4-,5+,6+,7+,8+,9-,10-,11?,12-/m1/s1 |
| SMILES | O=S(=O)([O-])OC[C@H]1O[C@H](O[C@H]2[C@@H](O)[C@@H](CO)OC(O)[C@@H]2OS(=O)(=O)[O-])[C@H](OS(=O)(=O)[O-])[C@@H](O)[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C12H22O20S3/c13-1-3-6(15)8(10(11(17)28-3)32-35(24,25)26)30-12-9(31-34(21,22)23)7(16)5(14)4(29-12)2-27-33(18,19)20/h3-17H,1-2H2,(H,18,19,20)(H,21,22,23)(H,24,25,26)/t3-,4-,5+,6+,7+,8+,9-,10-,11?,12-/m1/s1 |
 |
| SMILES (mnx) | [CH2:1]([C@@H:3]1[C@H:6]([OH:15])[C@H:8]([O:30][C@@H:12]2[C@H:9]([O:31][S:34]([OH:21])(=[O:22])=[O:23])[C@@H:7]([OH:16])[C@@H:5]([OH:14])[C@@H:4]([CH2:2][O:27][S:33]([OH:18])(=[O:19])=[O:20])[O:29]2)[C@@H:10]([O:32][S:35]([OH:24])(=[O:25])=[O:26])[CH:11]([OH:17])[O:28]1)[OH:13] |
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