| Properties | Image |
|---|
| MNX_ID | MNXM1175201 |
 |
| reference | envipathM:...8f1e79e84546 |
| formula | C37H66NO15 |
| global charge | -1 |
| mol weight | 764.927 |
| InChIKey | XIYFOVRYECGIFY-RWJQBGPGSA-M |
| InChI | InChI=1S/C37H67NO15/c1-13-25(40)37(9,48)30(43)20(4)27(41)18(2)15-35(7,47)32(53-34-28(42)23(38(10)11)14-19(3)50-34)21(5)29(22(6)33(45)46)52-26-16-36(8,49-12)31(44)24(17-39)51-26/h17-26,28-32,34,40,42-44,47-48H,13-16H2,1-12H3,(H,45,46)/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](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]1C[C@@](C)(OC)[C@@H](O)[C@H](C=O)O1)[C@@H](C)C(=O)[O-] |
MNX internals
| InChI (mnx) | InChI=1/C37H67NO15/c1-13-25(40)37(9,48)30(43)20(4)27(41)18(2)15-35(7,47)32(53-34-28(42)23(38(10)11)14-19(3)50-34)21(5)29(22(6)33(45)46)52-26-16-36(8,49-12)31(44)24(17-39)51-26/h17-26,28-32,34,40,42-44,47-48H,13-16H2,1-12H3,(H,45,46)/t18-,19-,20+,21+,22-,23+,24+,25-,26+,28-,29+,30-,31+,32-,34+,35-,36-,37-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:13][C@H:25]([C@:37]([CH3:9])([C@@H:30]([C@@H:20]([CH3:4])[C:27]([C@H:18]([CH3:2])[CH2:15][C@:35]([CH3:7])([C@@H:32]([C@@H:21]([CH3:5])[C@@H:29]([C@@H:22]([CH3:6])[C:33](=[O:45])[OH:46])[O:52][C@H:26]1[CH2:16][C@@:36]([CH3:8])([O:49][CH3:12])[C@@H:31]([OH:44])[C@H:24]([CH:17]=[O:39])[O:51]1)[O:53][C@H:34]1[C@H:28]([OH:42])[C@@H:23]([N:38]([CH3:10])[CH3:11])[CH2:14][C@@H:19]([CH3:3])[O:50]1)[OH:47])=[O:41])[OH:43])[OH:48])[OH:40] |
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