| Properties | Image |
|---|
| MNX_ID | MNXM1132704 |
 |
| reference | metacycM:CPD-24056 |
| formula | C31H51N2O24 |
| global charge | -1 |
| mol weight | 835.739 |
| InChIKey | YKPOWGRXGQIXHG-ZQFMUSCRSA-M |
| InChI | InChI=1S/C31H52N2O24/c1-8(38)32-15-10(40)3-31(30(49)50,56-24(15)17(42)11(41)4-34)57-25-20(45)14(7-37)53-29(26(25)55-28-22(47)21(46)18(43)12(5-35)52-28)54-23-16(33-9(2)39)27(48)51-13(6-36)19(23)44/h10-29,34-37,40-48H,3-7H2,1-2H3,(H,32,38)(H,33,39)(H,49,50)/p-1/t10-,11+,12+,13+,14+,15+,16+,17+,18+,19-,20+,21-,22+,23+,24+,25-,26+,27+,28+,29-,31-/m0/s1 |
| SMILES | CC(=O)N[C@@H]1[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[C@]3(C(=O)[O-])C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O3)[C@H]2O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H](CO)O[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C31H52N2O24/c1-8(38)32-15-10(40)3-31(30(49)50,56-24(15)17(42)11(41)4-34)57-25-20(45)14(7-37)53-29(26(25)55-28-22(47)21(46)18(43)12(5-35)52-28)54-23-16(33-9(2)39)27(48)51-13(6-36)19(23)44/h10-29,34-37,40-48H,3-7H2,1-2H3,(H,32,38)(H,33,39)(H,49,50)/t10-,11+,12+,13+,14+,15+,16+,17+,18+,19-,20+,21-,22+,23+,24+,25-,26+,27+,28+,29-,31-/m0/s1 |
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| SMILES (mnx) | [CH3:1][C:8](=[N:32][C@@H:15]1[C@@H:10]([OH:40])[CH2:3][C@@:31]([C:30](=[O:49])[OH:50])([O:57][C@H:25]2[C@H:20]([OH:45])[C@@H:14]([CH2:7][OH:37])[O:53][C@@H:29]([O:54][C@@H:23]3[C@@H:16]([N:33]=[C:9]([CH3:2])[OH:39])[C@H:27]([OH:48])[O:51][C@H:13]([CH2:6][OH:36])[C@@H:19]3[OH:44])[C@@H:26]2[O:55][C@@H:28]2[C@H:22]([OH:47])[C@@H:21]([OH:46])[C@H:18]([OH:43])[C@@H:12]([CH2:5][OH:35])[O:52]2)[O:56][C@H:24]1[C@@H:17]([C@@H:11]([CH2:4][OH:34])[OH:41])[OH:42])[OH:38] |
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