| Properties | Image |
|---|
| MNX_ID | MNXM1189013 |
 |
| reference | envipathM:...891b46265075 |
| formula | C36H67NO13 |
| global charge | 0 |
| mol weight | 721.926 |
| InChIKey | BKQCMDDNUVKXTL-PNHCUCQBSA-N |
| InChI | InChI=1S/C36H67NO13/c1-13-26(40)19(3)16-35(8,44)32(50-34-29(41)25(37(10)11)15-20(4)46-34)21(5)30(24(18-38)33(43)48-27(14-2)22(6)39)49-28-17-36(9,45-12)31(42)23(7)47-28/h19-25,27-32,34,38-39,41-42,44H,13-18H2,1-12H3/t19-,20-,21+,22?,23+,24-,25+,27-,28+,29-,30+,31+,32-,34+,35-,36-/m1/s1 |
| SMILES | CCC(=O)[C@H](C)C[C@@](C)(O)[C@H](O[C@@H]1O[C@H](C)C[C@H](N(C)C)[C@H]1O)[C@@H](C)[C@H](O[C@H]1C[C@@](C)(OC)[C@@H](O)[C@H](C)O1)[C@@H](CO)C(=O)O[C@H](CC)C(C)O |
MNX internals
| InChI (mnx) | InChI=1/C36H67NO13/c1-13-26(40)19(3)16-35(8,44)32(50-34-29(41)25(37(10)11)15-20(4)46-34)21(5)30(24(18-38)33(43)48-27(14-2)22(6)39)49-28-17-36(9,45-12)31(42)23(7)47-28/h19-25,27-32,34,38-39,41-42,44H,13-18H2,1-12H3/t19-,20-,21+,22?,23+,24-,25+,27-,28+,29-,30+,31+,32-,34+,35-,36-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:13][C:26]([C@H:19]([CH3:3])[CH2:16][C@:35]([CH3:8])([C@@H:32]([C@@H:21]([CH3:5])[C@@H:30]([C@@H:24]([CH2:18][OH:38])[C:33](=[O:43])[O:48][C@H:27]([CH2:14][CH3:2])[CH:22]([CH3:6])[OH:39])[O:49][C@H:28]1[CH2:17][C@@:36]([CH3:9])([O:45][CH3:12])[C@@H:31]([OH:42])[C@H:23]([CH3:7])[O:47]1)[O:50][C@H:34]1[C@H:29]([OH:41])[C@@H:25]([N:37]([CH3:10])[CH3:11])[CH2:15][C@@H:20]([CH3:4])[O:46]1)[OH:44])=[O:40] |
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