| Properties | Image |
|---|
| MNX_ID | MNXM103091 |
 |
| reference | chebi:71450 |
| formula | C20H35NO16 |
| global charge | 0 |
| mol weight | 545.491 |
| InChIKey | QOITYCLKNIWNMP-QDRCFXCOSA-N |
| InChI | InChI=1S/C20H35NO16/c1-5(25)21-9-11(27)16(7(3-23)33-18(9)32)36-20-15(31)13(29)17(8(4-24)35-20)37-19-14(30)12(28)10(26)6(2-22)34-19/h6-20,22-24,26-32H,2-4H2,1H3,(H,21,25)/t6-,7-,8-,9-,10+,11-,12+,13-,14-,15-,16-,17+,18?,19+,20+/m1/s1 |
| SMILES | CC(=O)N[C@H]1C(O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C20H35NO16/c1-5(25)21-9-11(27)16(7(3-23)33-18(9)32)36-20-15(31)13(29)17(8(4-24)35-20)37-19-14(30)12(28)10(26)6(2-22)34-19/h6-20,22-24,26-32H,2-4H2,1H3,(H,21,25)/t6-,7-,8-,9-,10+,11-,12+,13-,14-,15-,16-,17+,18?,19+,20+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C:5](=[N:21][C@@H:9]1[C@@H:11]([OH:27])[C@H:16]([O:36][C@H:20]2[C@H:15]([OH:31])[C@@H:13]([OH:29])[C@@H:17]([O:37][C@H:19]3[C@H:14]([OH:30])[C@@H:12]([OH:28])[C@@H:10]([OH:26])[C@@H:6]([CH2:2][OH:22])[O:34]3)[C@@H:8]([CH2:4][OH:24])[O:35]2)[C@@H:7]([CH2:3][OH:23])[O:33][CH:18]1[OH:32])[OH:25] |
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