| Properties | Image |
|---|
| MNX_ID | MNXM1171859 |
 |
| reference | envipathM:...b988467d14c0 |
| formula | C35H61NO14 |
| global charge | 0 |
| mol weight | 719.866 |
| InChIKey | KMIZWNAABZGGTQ-JUERUQHCSA-N |
| InChI | InChI=1S/C35H61NO14/c1-12-22-34(9,43)31(41)35(10,44)26(38)16(2)14-32(7,42)28(50-30-24(37)21(36)13-17(3)46-30)18(4)25(19(5)29(40)48-22)49-23-15-33(8,45-11)27(39)20(6)47-23/h16-23,25,27-28,30-31,39,41-44H,12-15,36H2,1-11H3/t16-,17-,18+,19-,20+,21+,22-,23+,25+,27+,28-,30+,31+,32-,33-,34-,35-/m1/s1 |
| SMILES | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N)C2=O)[C@](C)(O)C[C@@H](C)C(=O)[C@@](C)(O)[C@@H](O)[C@]1(C)O |
MNX internals
| InChI (mnx) | InChI=1/C35H61NO14/c1-12-22-34(9,43)31(41)35(10,44)26(38)16(2)14-32(7,42)28(50-30-24(37)21(36)13-17(3)46-30)18(4)25(19(5)29(40)48-22)49-23-15-33(8,45-11)27(39)20(6)47-23/h16-23,25,27-28,30-31,39,41-44H,12-15,36H2,1-11H3/t16-,17-,18+,19-,20+,21+,22-,23+,25+,27+,28-,30+,31+,32-,33-,34-,35-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:12][C@@H:22]1[C@@:34]([CH3:9])([OH:43])[C@H:31]([OH:41])[C@:35]([CH3:10])([OH:44])[C:26](=[O:38])[C@H:16]([CH3:2])[CH2:14][C@@:32]([CH3:7])([OH:42])[C@H:28]([O:50][C@H:30]2[C:24](=[O:37])[C@@H:21]([NH2:36])[CH2:13][C@@H:17]([CH3:3])[O:46]2)[C@@H:18]([CH3:4])[C@H:25]([O:49][C@H:23]2[CH2:15][C@@:33]([CH3:8])([O:45][CH3:11])[C@@H:27]([OH:39])[C@H:20]([CH3:6])[O:47]2)[C@@H:19]([CH3:5])[C:29](=[O:40])[O:48]1 |
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