| Properties | Image |
|---|
| MNX_ID | MNXM1178477 |
 |
| reference | envipathM:...ee009eae0afd |
| formula | C37H66NO16 |
| global charge | -1 |
| mol weight | 780.926 |
| InChIKey | ITWLPAKGULEZTR-LNYLAXPOSA-M |
| InChI | InChI=1S/C37H67NO16/c1-12-25(41)37(8,49)31(45)23(17-40)27(42)18(2)14-35(6,48)32(54-34-28(43)24(38(9)10)13-22(16-39)52-34)19(3)29(20(4)33(46)47)53-26-15-36(7,50-11)30(44)21(5)51-26/h16,18-26,28-32,34,40-41,43-45,48-49H,12-15,17H2,1-11H3,(H,46,47)/p-1/t18-,19+,20-,21+,22+,23+,24+,25-,26+,28-,29+,30+,31-,32-,34+,35-,36-,37-/m1/s1 |
| SMILES | CC[C@@H](O)[C@@](C)(O)[C@H](O)[C@@H](CO)C(=O)[C@H](C)C[C@@](C)(O)[C@H](O[C@@H]1O[C@H](C=O)C[C@H](N(C)C)[C@H]1O)[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/c1-12-25(41)37(8,49)31(45)23(17-40)27(42)18(2)14-35(6,48)32(54-34-28(43)24(38(9)10)13-22(16-39)52-34)19(3)29(20(4)33(46)47)53-26-15-36(7,50-11)30(44)21(5)51-26/h16,18-26,28-32,34,40-41,43-45,48-49H,12-15,17H2,1-11H3,(H,46,47)/t18-,19+,20-,21+,22+,23+,24+,25-,26+,28-,29+,30+,31-,32-,34+,35-,36-,37-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:12][C@H:25]([C@:37]([CH3:8])([C@@H:31]([C@@H:23]([CH2:17][OH:40])[C:27]([C@H:18]([CH3:2])[CH2:14][C@:35]([CH3:6])([C@@H:32]([C@@H:19]([CH3:3])[C@@H:29]([C@@H:20]([CH3:4])[C:33](=[O:46])[OH:47])[O:53][C@H:26]1[CH2:15][C@@:36]([CH3:7])([O:50][CH3:11])[C@@H:30]([OH:44])[C@H:21]([CH3:5])[O:51]1)[O:54][C@H:34]1[C@H:28]([OH:43])[C@@H:24]([N:38]([CH3:9])[CH3:10])[CH2:13][C@@H:22]([CH:16]=[O:39])[O:52]1)[OH:48])=[O:42])[OH:45])[OH:49])[OH:41] |
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