| Properties | Image |
|---|
| MNX_ID | MNXM1172346 |
 |
| reference | envipathM:...11170dd5813e |
| formula | C36H61NO14 |
| global charge | 0 |
| mol weight | 731.877 |
| InChIKey | FNFFTNPZFRWTKK-HQEVYTJRSA-N |
| InChI | InChI=1S/C36H61NO14/c1-12-24-36(9,45)29(41)19(4)26(39)17(2)14-34(7,44)31(51-33-27(40)22(37-10)13-18(3)47-33)20(5)28(21(6)32(43)49-24)50-25-15-35(8,46-11)30(42)23(16-38)48-25/h17-25,27-28,31,33,37-38,40,44-45H,12-16H2,1-11H3/t17-,18-,19+,20+,21-,22+,23+,24-,25+,27-,28+,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(=O)[C@H](CO)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](C)C(=O)[C@]1(C)O |
MNX internals
| InChI (mnx) | InChI=1/C36H61NO14/c1-12-24-36(9,45)29(41)19(4)26(39)17(2)14-34(7,44)31(51-33-27(40)22(37-10)13-18(3)47-33)20(5)28(21(6)32(43)49-24)50-25-15-35(8,46-11)30(42)23(16-38)48-25/h17-25,27-28,31,33,37-38,40,44-45H,12-16H2,1-11H3/t17-,18-,19+,20+,21-,22+,23+,24-,25+,27-,28+,31-,33+,34-,35-,36-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:12][C@@H:24]1[C@@:36]([CH3:9])([OH:45])[C:29](=[O:41])[C@@H:19]([CH3:4])[C:26](=[O:39])[C@H:17]([CH3:2])[CH2:14][C@@:34]([CH3:7])([OH:44])[C@H:31]([O:51][C@H:33]2[C@H:27]([OH:40])[C@@H:22]([NH:37][CH3:10])[CH2:13][C@@H:18]([CH3:3])[O:47]2)[C@@H:20]([CH3:5])[C@H:28]([O:50][C@H:25]2[CH2:15][C@@:35]([CH3:8])([O:46][CH3:11])[C:30](=[O:42])[C@H:23]([CH2:16][OH:38])[O:48]2)[C@@H:21]([CH3:6])[C:32](=[O:43])[O:49]1 |
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