| Properties | Image |
|---|
| MNX_ID | MNXM1197533 |
 |
| reference | envipathM:...09eb4e913778 |
| formula | C37H64NO15 |
| global charge | -1 |
| mol weight | 762.911 |
| InChIKey | ISFADYIBRDBCPC-QRVUVRDVSA-M |
| InChI | InChI=1S/C37H65NO15/c1-13-25(40)37(9,47)26(14-2)51-33(45)21(5)29(52-27-17-36(8,48-12)30(42)22(6)49-27)20(4)31(35(7,46)16-19(3)32(43)44)53-34-28(41)24(38(10)11)15-23(18-39)50-34/h19-24,26-27,29-31,34,39,42,46-47H,13-18H2,1-12H3,(H,43,44)/p-1/t19-,20+,21-,22+,23+,24+,26-,27+,29+,30+,31-,34+,35-,36-,37+/m1/s1 |
| SMILES | CCC(=O)[C@](C)(O)[C@@H](CC)OC(=O)[C@H](C)[C@@H](O[C@H]1C[C@@](C)(OC)[C@@H](O)[C@H](C)O1)[C@H](C)[C@@H](O[C@@H]1O[C@H](CO)C[C@H](N(C)C)C1=O)[C@](C)(O)C[C@@H](C)C(=O)[O-] |
MNX internals
| InChI (mnx) | InChI=1/C37H65NO15/c1-13-25(40)37(9,47)26(14-2)51-33(45)21(5)29(52-27-17-36(8,48-12)30(42)22(6)49-27)20(4)31(35(7,46)16-19(3)32(43)44)53-34-28(41)24(38(10)11)15-23(18-39)50-34/h19-24,26-27,29-31,34,39,42,46-47H,13-18H2,1-12H3,(H,43,44)/t19-,20+,21-,22+,23+,24+,26-,27+,29+,30+,31-,34+,35-,36-,37+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:13][C:25]([C@@:37]([CH3:9])([C@@H:26]([CH2:14][CH3:2])[O:51][C:33]([C@H:21]([CH3:5])[C@H:29]([C@H:20]([CH3:4])[C@H:31]([C@@:35]([CH3:7])([CH2:16][C@@H:19]([CH3:3])[C:32](=[O:43])[OH:44])[OH:46])[O:53][C@H:34]1[C:28](=[O:41])[C@@H:24]([N:38]([CH3:10])[CH3:11])[CH2:15][C@@H:23]([CH2:18][OH:39])[O:50]1)[O:52][C@H:27]1[CH2:17][C@@:36]([CH3:8])([O:48][CH3:12])[C@@H:30]([OH:42])[C@H:22]([CH3:6])[O:49]1)=[O:45])[OH:47])=[O:40] |
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