| Properties | Image |
|---|
| MNX_ID | MNXM1193511 |
 |
| reference | envipathM:...beac1209c617 |
| formula | C37H64NO15 |
| global charge | -1 |
| mol weight | 762.911 |
| InChIKey | KZHOMTLMNBGGLC-PQRFYFQLSA-M |
| InChI | InChI=1S/C37H65NO15/c1-13-25(40)23(18-39)16-35(7,46)31(53-33-28(41)24(38(10)11)15-19(3)49-33)20(4)29(52-27-17-36(8,48-12)30(42)22(6)50-27)21(5)32(43)51-26(14-2)37(9,47)34(44)45/h19-24,26-27,29-31,33,39,42,46-47H,13-18H2,1-12H3,(H,44,45)/p-1/t19-,20+,21-,22+,23+,24+,26-,27+,29+,30+,31-,33+,35-,36-,37-/m1/s1 |
| SMILES | CCC(=O)[C@H](CO)C[C@@](C)(O)[C@H](O[C@@H]1O[C@H](C)C[C@H](N(C)C)C1=O)[C@@H](C)[C@H](O[C@H]1C[C@@](C)(OC)[C@@H](O)[C@H](C)O1)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)C(=O)[O-] |
MNX internals
| InChI (mnx) | InChI=1/C37H65NO15/c1-13-25(40)23(18-39)16-35(7,46)31(53-33-28(41)24(38(10)11)15-19(3)49-33)20(4)29(52-27-17-36(8,48-12)30(42)22(6)50-27)21(5)32(43)51-26(14-2)37(9,47)34(44)45/h19-24,26-27,29-31,33,39,42,46-47H,13-18H2,1-12H3,(H,44,45)/t19-,20+,21-,22+,23+,24+,26-,27+,29+,30+,31-,33+,35-,36-,37-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:13][C:25]([C@@H:23]([CH2:16][C@:35]([CH3:7])([C@@H:31]([C@@H:20]([CH3:4])[C@@H:29]([C@@H:21]([CH3:5])[C:32](=[O:43])[O:51][C@H:26]([CH2:14][CH3:2])[C@:37]([CH3:9])([C:34](=[O:44])[OH:45])[OH:47])[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:50]1)[O:53][C@H:33]1[C:28](=[O:41])[C@@H:24]([N:38]([CH3:10])[CH3:11])[CH2:15][C@@H:19]([CH3:3])[O:49]1)[OH:46])[CH2:18][OH:39])=[O:40] |
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