| Properties | Image |
|---|
| MNX_ID | MNXM1175645 |
 |
| reference | envipathM:...e65adba62cfc |
| formula | C36H63NO15 |
| global charge | 0 |
| mol weight | 749.892 |
| InChIKey | NBSIBGGKBKPWKT-PISLIIBXSA-N |
| InChI | InChI=1S/C36H63NO15/c1-11-24-36(8,46)29(42)21(15-38)26(40)17(2)13-34(6,45)31(52-33-27(41)22(37-9)12-18(3)48-33)19(4)28(20(5)32(44)50-24)51-25-14-35(7,47-10)30(43)23(16-39)49-25/h16-25,27-31,33,37-38,41-43,45-46H,11-15H2,1-10H3/t17-,18-,19+,20-,21+,22+,23+,24-,25+,27-,28+,29-,30+,31-,33+,34-,35-,36-/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=O)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@@H](C)C(=O)[C@H](CO)[C@@H](O)[C@]1(C)O |
MNX internals
| InChI (mnx) | InChI=1/C36H63NO15/c1-11-24-36(8,46)29(42)21(15-38)26(40)17(2)13-34(6,45)31(52-33-27(41)22(37-9)12-18(3)48-33)19(4)28(20(5)32(44)50-24)51-25-14-35(7,47-10)30(43)23(16-39)49-25/h16-25,27-31,33,37-38,41-43,45-46H,11-15H2,1-10H3/t17-,18-,19+,20-,21+,22+,23+,24-,25+,27-,28+,29-,30+,31-,33+,34-,35-,36-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:11][C@@H:24]1[C@@:36]([CH3:8])([OH:46])[C@H:29]([OH:42])[C@@H:21]([CH2:15][OH:38])[C:26](=[O:40])[C@H:17]([CH3:2])[CH2:13][C@@:34]([CH3:6])([OH:45])[C@H:31]([O:52][C@H:33]2[C@H:27]([OH:41])[C@@H:22]([NH:37][CH3:9])[CH2:12][C@@H:18]([CH3:3])[O:48]2)[C@@H:19]([CH3:4])[C@H:28]([O:51][C@H:25]2[CH2:14][C@@:35]([CH3:7])([O:47][CH3:10])[C@@H:30]([OH:43])[C@H:23]([CH:16]=[O:39])[O:49]2)[C@@H:20]([CH3:5])[C:32](=[O:44])[O:50]1 |
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