| Properties | Image |
|---|
| MNX_ID | MNXM1183169 |
 |
| reference | envipathM:...d8fd1aae5b9c |
| formula | C36H63NO15 |
| global charge | 0 |
| mol weight | 749.892 |
| InChIKey | ZHXZIRCHGHZKDC-FBIBREPASA-N |
| InChI | InChI=1S/C36H63NO15/c1-13-22-35(9,45)26(40)18(3)25(39)32(6,43)16-33(7,44)28(52-30-24(38)21(37-11)14-17(2)48-30)19(4)29(36(10,46)31(42)50-22)51-23-15-34(8,47-12)27(41)20(5)49-23/h17-24,26,28-30,37-38,40,43-46H,13-16H2,1-12H3/t17-,18+,19-,20+,21+,22-,23+,24-,26-,28-,29+,30+,32+,33-,34-,35-,36+/m1/s1 |
| SMILES | CC[C@H]1OC(=O)[C@@](C)(O)[C@@H](O[C@H]2C[C@@](C)(OC)C(=O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](NC)[C@H]2O)[C@](C)(O)C[C@](C)(O)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O |
MNX internals
| InChI (mnx) | InChI=1/C36H63NO15/c1-13-22-35(9,45)26(40)18(3)25(39)32(6,43)16-33(7,44)28(52-30-24(38)21(37-11)14-17(2)48-30)19(4)29(36(10,46)31(42)50-22)51-23-15-34(8,47-12)27(41)20(5)49-23/h17-24,26,28-30,37-38,40,43-46H,13-16H2,1-12H3/t17-,18+,19-,20+,21+,22-,23+,24-,26-,28-,29+,30+,32+,33-,34-,35-,36+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:13][C@@H:22]1[C@@:35]([CH3:9])([OH:45])[C@H:26]([OH:40])[C@@H:18]([CH3:3])[C:25](=[O:39])[C@@:32]([CH3:6])([OH:43])[CH2:16][C@@:33]([CH3:7])([OH:44])[C@H:28]([O:52][C@H:30]2[C@H:24]([OH:38])[C@@H:21]([NH:37][CH3:11])[CH2:14][C@@H:17]([CH3:2])[O:48]2)[C@@H:19]([CH3:4])[C@H:29]([O:51][C@H:23]2[CH2:15][C@@:34]([CH3:8])([O:47][CH3:12])[C:27](=[O:41])[C@H:20]([CH3:5])[O:49]2)[C@:36]([CH3:10])([OH:46])[C:31](=[O:42])[O:50]1 |
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