| Properties | Image |
|---|
| MNX_ID | MNXM1139234 |
 |
| reference | envipathM:...035ce6126037 |
| formula | C37H66NO16 |
| global charge | -1 |
| mol weight | 780.926 |
| InChIKey | SAOHFXVSFFQUTQ-WLIQIICLSA-M |
| InChI | InChI=1S/C37H67NO16/c1-13-24(40)36(9,48)28(43)20(4)26(41)18(2)15-34(7,47)33(54-32-27(42)23(38(10)11)14-19(3)51-32)37(49,17-39)30(21(5)31(45)46)53-25-16-35(8,50-12)29(44)22(6)52-25/h18-25,27-28,30,32-33,39-40,42-43,47-49H,13-17H2,1-12H3,(H,45,46)/p-1/t18-,19-,20+,21-,22+,23+,24-,25+,27-,28-,30-,32+,33+,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@@](O)(CO)[C@H](O[C@H]1C[C@@](C)(OC)C(=O)[C@H](C)O1)[C@@H](C)C(=O)[O-] |
MNX internals
| InChI (mnx) | InChI=1/C37H67NO16/c1-13-24(40)36(9,48)28(43)20(4)26(41)18(2)15-34(7,47)33(54-32-27(42)23(38(10)11)14-19(3)51-32)37(49,17-39)30(21(5)31(45)46)53-25-16-35(8,50-12)29(44)22(6)52-25/h18-25,27-28,30,32-33,39-40,42-43,47-49H,13-17H2,1-12H3,(H,45,46)/t18-,19-,20+,21-,22+,23+,24-,25+,27-,28-,30-,32+,33+,34-,35-,36-,37-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:13][C@H:24]([C@:36]([CH3:9])([C@@H:28]([C@@H:20]([CH3:4])[C:26]([C@H:18]([CH3:2])[CH2:15][C@:34]([CH3:7])([C@@H:33]([C@@:37]([CH2:17][OH:39])([C@@H:30]([C@@H:21]([CH3:5])[C:31](=[O:45])[OH:46])[O:53][C@H:25]1[CH2:16][C@@:35]([CH3:8])([O:50][CH3:12])[C:29](=[O:44])[C@H:22]([CH3:6])[O:52]1)[OH:49])[O:54][C@H:32]1[C@H:27]([OH:42])[C@@H:23]([N:38]([CH3:10])[CH3:11])[CH2:14][C@@H:19]([CH3:3])[O:51]1)[OH:47])=[O:41])[OH:43])[OH:48])[OH:40] |
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