| Properties | Image |
|---|
| MNX_ID | MNXM1181639 |
 |
| reference | envipathM:...8de042041cf2 |
| formula | C37H67NO16 |
| global charge | -2 |
| mol weight | 781.934 |
| InChIKey | KFCMKWLQFBCJTE-NRYSUHESSA-L |
| InChI | InChI=1S/C37H69NO16/c1-14-25(39)37(10,49)30(42)20(4)27(40)18(2)16-35(8,47)31(54-34-28(41)24(38(11)12)15-19(3)51-34)21(5)29(22(6)32(43)44)53-26(17-36(9,48)50-13)52-23(7)33(45)46/h18-26,28-31,34,39,41-42,47-49H,14-17H2,1-13H3,(H,43,44)(H,45,46)/p-2/t18-,19-,20+,21+,22-,23+,24+,25-,26+,28-,29+,30-,31-,34+,35-,36-,37-/m1/s1 |
| SMILES | CC[C@@H](O)[C@@](C)(O)[C@H](O)[C@@H](C)C(=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](C[C@](C)(O)OC)O[C@@H](C)C(=O)[O-])[C@@H](C)C(=O)[O-] |
MNX internals
| InChI (mnx) | InChI=1/C37H69NO16/c1-14-25(39)37(10,49)30(42)20(4)27(40)18(2)16-35(8,47)31(54-34-28(41)24(38(11)12)15-19(3)51-34)21(5)29(22(6)32(43)44)53-26(17-36(9,48)50-13)52-23(7)33(45)46/h18-26,28-31,34,39,41-42,47-49H,14-17H2,1-13H3,(H,43,44)(H,45,46)/t18-,19-,20+,21+,22-,23+,24+,25-,26+,28-,29+,30-,31-,34+,35-,36-,37-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:14][C@H:25]([C@:37]([CH3:10])([C@@H:30]([C@@H:20]([CH3:4])[C:27]([C@H:18]([CH3:2])[CH2:16][C@:35]([CH3:8])([C@@H:31]([C@@H:21]([CH3:5])[C@@H:29]([C@@H:22]([CH3:6])[C:32](=[O:43])[OH:44])[O:53][C@@H:26]([CH2:17][C@:36]([CH3:9])([OH:48])[O:50][CH3:13])[O:52][C@@H:23]([CH3:7])[C:33](=[O:45])[OH:46])[O:54][C@H:34]1[C@H:28]([OH:41])[C@@H:24]([N:38]([CH3:11])[CH3:12])[CH2:15][C@@H:19]([CH3:3])[O:51]1)[OH:47])=[O:40])[OH:42])[OH:49])[OH:39] |
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