| Properties | Image |
|---|
| MNX_ID | MNXM1132623 |
 |
| reference | metacycM:CPD-23894 |
| formula | C36H61N3O26 |
| global charge | 0 |
| mol weight | 951.879 |
| InChIKey | BZCSVBKHOFRTIR-ZDYDIQCKSA-N |
| InChI | InChI=1S/C36H61N3O26/c1-9(45)37-17-24(52)20(48)12(4-40)58-33(17)63-30-19(39-11(3)47)34(59-14(6-42)22(30)50)65-31-23(51)15(7-43)60-36(27(31)55)62-28-16(8-44)61-35(26(54)25(28)53)64-29-18(38-10(2)46)32(56)57-13(5-41)21(29)49/h12-36,40-44,48-56H,4-8H2,1-3H3,(H,37,45)(H,38,46)(H,39,47)/t12-,13-,14-,15-,16-,17-,18-,19-,20-,21+,22+,23+,24-,25-,26-,27-,28+,29-,30-,31+,32-,33-,34+,35+,36-/m1/s1 |
| SMILES | CC(=O)N[C@@H]1[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]4O[C@H](CO)[C@H](O)[C@H](O[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5NC(C)=O)[C@H]4NC(C)=O)[C@H]3O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H](CO)O[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C36H61N3O26/c1-9(45)37-17-24(52)20(48)12(4-40)58-33(17)63-30-19(39-11(3)47)34(59-14(6-42)22(30)50)65-31-23(51)15(7-43)60-36(27(31)55)62-28-16(8-44)61-35(26(54)25(28)53)64-29-18(38-10(2)46)32(56)57-13(5-41)21(29)49/h12-36,40-44,48-56H,4-8H2,1-3H3,(H,37,45)(H,38,46)(H,39,47)/t12-,13-,14-,15-,16-,17-,18-,19-,20-,21+,22+,23+,24-,25-,26-,27-,28+,29-,30-,31+,32-,33-,34+,35+,36-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C:9](=[N:37][C@@H:17]1[C@@H:24]([OH:52])[C@H:20]([OH:48])[C@@H:12]([CH2:4][OH:40])[O:58][C@@H:33]1[O:63][C@@H:30]1[C@@H:19]([N:39]=[C:11]([CH3:3])[OH:47])[C@H:34]([O:65][C@H:31]2[C@@H:23]([OH:51])[C@@H:15]([CH2:7][OH:43])[O:60][C@H:36]([O:62][C@H:28]3[C@@H:16]([CH2:8][OH:44])[O:61][C@@H:35]([O:64][C@@H:29]4[C@@H:18]([N:38]=[C:10]([CH3:2])[OH:46])[C@H:32]([OH:56])[O:57][C@H:13]([CH2:5][OH:41])[C@@H:21]4[OH:49])[C@H:26]([OH:54])[C@H:25]3[OH:53])[C@@H:27]2[OH:55])[O:59][C@H:14]([CH2:6][OH:42])[C@@H:22]1[OH:50])[OH:45] |
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