| Properties | Image |
|---|
| MNX_ID | MNXM683047 |
 |
| reference | metacycM:CPD-19050 |
| formula | C36H62O15 |
| global charge | 0 |
| mol weight | 734.877 |
| InChIKey | DXKSESFYAWUSFS-FMUUPEMKSA-N |
| InChI | InChI=1S/C36H62O15/c1-7-8-9-10-11-12-13-14-15-16-27(41)47-32-31(48-28(42)17-22(2)3)26(20-38)46-35(33(32)45-24(6)40)51-36(21-39)34(30(44)25(19-37)50-36)49-29(43)18-23(4)5/h22-23,25-26,30-35,37-39,44H,7-21H2,1-6H3/t25-,26-,30-,31-,32+,33-,34+,35-,36+/m1/s1 |
| SMILES | CCCCCCCCCCCC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@@H](O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2OC(=O)CC(C)C)O[C@H](CO)[C@H]1OC(=O)CC(C)C |
MNX internals
| InChI (mnx) | InChI=1/C36H62O15/c1-7-8-9-10-11-12-13-14-15-16-27(41)47-32-31(48-28(42)17-22(2)3)26(20-38)46-35(33(32)45-24(6)40)51-36(21-39)34(30(44)25(19-37)50-36)49-29(43)18-23(4)5/h22-23,25-26,30-35,37-39,44H,7-21H2,1-6H3/t25-,26-,30-,31-,32+,33-,34+,35-,36+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][C:27](=[O:41])[O:47][C@H:32]1[C@H:31]([O:48][C:28]([CH2:17][CH:22]([CH3:2])[CH3:3])=[O:42])[C@@H:26]([CH2:20][OH:38])[O:46][C@H:35]([O:51][C@@:36]2([CH2:21][OH:39])[C@@H:34]([O:49][C:29]([CH2:18][CH:23]([CH3:4])[CH3:5])=[O:43])[C@H:30]([OH:44])[C@@H:25]([CH2:19][OH:37])[O:50]2)[C@@H:33]1[O:45][C:24]([CH3:6])=[O:40] |
|