| Properties | Image |
|---|
| MNX_ID | MNXM162688 |
 |
| reference | chebi:132154 |
| formula | C22H35N2O17 |
| global charge | -1 |
| mol weight | 599.519 |
| InChIKey | AFEUFAVYWMAMHL-PQHYAFJDSA-M |
| InChI | InChI=1S/C22H36N2O17/c1-5(27)23-9-13(31)11(29)7(3-25)38-21(9)40-17-14(32)15(33)22(41-18(17)19(34)35)39-16-10(24-6(2)28)20(36)37-8(4-26)12(16)30/h7-18,20-22,25-26,29-33,36H,3-4H2,1-2H3,(H,23,27)(H,24,28)(H,34,35)/p-1/t7-,8-,9-,10-,11-,12-,13-,14-,15-,16-,17+,18+,20-,21+,22-/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]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3NC(C)=O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](CO)O[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C22H36N2O17/c1-5(27)23-9-13(31)11(29)7(3-25)38-21(9)40-17-14(32)15(33)22(41-18(17)19(34)35)39-16-10(24-6(2)28)20(36)37-8(4-26)12(16)30/h7-18,20-22,25-26,29-33,36H,3-4H2,1-2H3,(H,23,27)(H,24,28)(H,34,35)/t7-,8-,9-,10-,11-,12-,13-,14-,15-,16-,17+,18+,20-,21+,22-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C:5](=[N:23][C@@H:9]1[C@@H:13]([OH:31])[C@H:11]([OH:29])[C@@H:7]([CH2:3][OH:25])[O:38][C@H:21]1[O:40][C@H:17]1[C@H:14]([OH:32])[C@@H:15]([OH:33])[C@H:22]([O:39][C@@H:16]2[C@@H:10]([N:24]=[C:6]([CH3:2])[OH:28])[C@H:20]([OH:36])[O:37][C@H:8]([CH2:4][OH:26])[C@H:12]2[OH:30])[O:41][C@@H:18]1[C:19](=[O:34])[OH:35])[OH:27] |
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