| Properties | Image |
|---|
| MNX_ID | MNXM102267 |
 |
| reference | chebi:65189 |
| formula | C27H45N3O19 |
| global charge | 0 |
| mol weight | 715.659 |
| InChIKey | JJBUKMZTIWZKGT-ICTHHDDWSA-N |
| InChI | InChI=1S/C27H45N3O19/c1-8(32)28-5-12(36)17(37)23-15(29-9(2)33)11(35)4-27(49-23,26(43)44)45-7-14-18(38)20(40)21(41)25(47-14)48-22-13(6-31)46-24(42)16(19(22)39)30-10(3)34/h11-25,31,35-42H,4-7H2,1-3H3,(H,28,32)(H,29,33)(H,30,34)(H,43,44)/t11-,12+,13+,14+,15+,16+,17+,18-,19+,20-,21+,22+,23+,24+,25-,27+/m0/s1 |
| SMILES | CC(=O)NC[C@@H](O)[C@@H](O)[C@@H]1O[C@@](OC[C@H]2O[C@@H](O[C@H]3[C@H](O)[C@@H](NC(C)=O)[C@H](O)O[C@@H]3CO)[C@H](O)[C@@H](O)[C@H]2O)(C(=O)O)C[C@H](O)[C@H]1NC(C)=O |
MNX internals
| InChI (mnx) | InChI=1/C27H45N3O19/c1-8(32)28-5-12(36)17(37)23-15(29-9(2)33)11(35)4-27(49-23,26(43)44)45-7-14-18(38)20(40)21(41)25(47-14)48-22-13(6-31)46-24(42)16(19(22)39)30-10(3)34/h11-25,31,35-42H,4-7H2,1-3H3,(H,28,32)(H,29,33)(H,30,34)(H,43,44)/t11-,12+,13+,14+,15+,16+,17+,18-,19+,20-,21+,22+,23+,24+,25-,27+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C:8](=[N:28][CH2:5][C@H:12]([C@H:17]([C@H:23]1[C@H:15]([N:29]=[C:9]([CH3:2])[OH:33])[C@@H:11]([OH:35])[CH2:4][C@@:27]([C:26](=[O:43])[OH:44])([O:45][CH2:7][C@@H:14]2[C@H:18]([OH:38])[C@H:20]([OH:40])[C@@H:21]([OH:41])[C@H:25]([O:48][C@@H:22]3[C@@H:13]([CH2:6][OH:31])[O:46][C@@H:24]([OH:42])[C@H:16]([N:30]=[C:10]([CH3:3])[OH:34])[C@H:19]3[OH:39])[O:47]2)[O:49]1)[OH:37])[OH:36])[OH:32] |
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