| Properties | Image |
|---|
| MNX_ID | MNXM1179564 |
 |
| reference | envipathM:...7155f4fb9a2a |
| formula | C37H66NO16 |
| global charge | -1 |
| mol weight | 780.926 |
| InChIKey | IYMULINAUFQCLD-ANNKUBOZSA-M |
| InChI | InChI=1S/C37H67NO16/c1-13-24(40)37(9,48)29(42)19(3)27(41)23(17-39)15-35(7,47)31(54-34-33(46)52-25(38(10)11)14-18(2)50-34)20(4)28(21(5)32(44)45)53-26-16-36(8,49-12)30(43)22(6)51-26/h18-26,28-31,34,39-40,42-43,47-48H,13-17H2,1-12H3,(H,44,45)/p-1/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](CO)C[C@@](C)(O)[C@H](O[C@@H]1O[C@H](C)C[C@H](N(C)C)OC1=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-] |
MNX internals
| InChI (mnx) | InChI=1/C37H67NO16/c1-13-24(40)37(9,48)29(42)19(3)27(41)23(17-39)15-35(7,47)31(54-34-33(46)52-25(38(10)11)14-18(2)50-34)20(4)28(21(5)32(44)45)53-26-16-36(8,49-12)30(43)22(6)51-26/h18-26,28-31,34,39-40,42-43,47-48H,13-17H2,1-12H3,(H,44,45)/t18-,19+,20+,21-,22+,23+,24-,25-,26+,28+,29-,30+,31-,34+,35-,36-,37-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:13][C@H:24]([C@:37]([CH3:9])([C@@H:29]([C@@H:19]([CH3:3])[C:27]([C@@H:23]([CH2:15][C@:35]([CH3:7])([C@@H:31]([C@@H:20]([CH3:4])[C@@H:28]([C@@H:21]([CH3:5])[C:32](=[O:44])[OH:45])[O:53][C@H:26]1[CH2:16][C@@:36]([CH3:8])([O:49][CH3:12])[C@@H:30]([OH:43])[C@H:22]([CH3:6])[O:51]1)[O:54][C@H:34]1[C:33](=[O:46])[O:52][C@@H:25]([N:38]([CH3:10])[CH3:11])[CH2:14][C@@H:18]([CH3:2])[O:50]1)[OH:47])[CH2:17][OH:39])=[O:41])[OH:42])[OH:48])[OH:40] |
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