| Properties | Image |
|---|
| MNX_ID | MNXM158866 |
 |
| reference | chebi:87261 |
| formula | C20H35N3O13 |
| global charge | 0 |
| mol weight | 525.508 |
| InChIKey | BMSPZGKRTLZXAV-NOKREWQBSA-N |
| InChI | InChI=1S/C20H35N3O13/c1-6(11(21)18(31)32)33-20-13(23-8(3)27)17(15(29)10(5-25)35-20)36-19-12(22-7(2)26)16(30)14(28)9(4-24)34-19/h6,9-17,19-20,24-25,28-30H,4-5,21H2,1-3H3,(H,22,26)(H,23,27)(H,31,32)/t6-,9-,10-,11+,12-,13-,14-,15+,16-,17-,19+,20+/m1/s1 |
| SMILES | CC(=O)N[C@H]1[C@H](O[C@H]2[C@@H](O)[C@@H](CO)O[C@H](O[C@H](C)[C@H](N)C(=O)O)[C@@H]2NC(C)=O)O[C@H](CO)[C@@H](O)[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C20H35N3O13/c1-6(11(21)18(31)32)33-20-13(23-8(3)27)17(15(29)10(5-25)35-20)36-19-12(22-7(2)26)16(30)14(28)9(4-24)34-19/h6,9-17,19-20,24-25,28-30H,4-5,21H2,1-3H3,(H,22,26)(H,23,27)(H,31,32)/t6-,9-,10-,11+,12-,13-,14-,15+,16-,17-,19+,20+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C@H:6]([C@@H:11]([C:18](=[O:31])[OH:32])[NH2:21])[O:33][C@@H:20]1[C@H:13]([N:23]=[C:8]([CH3:3])[OH:27])[C@@H:17]([O:36][C@H:19]2[C@H:12]([N:22]=[C:7]([CH3:2])[OH:26])[C@@H:16]([OH:30])[C@H:14]([OH:28])[C@@H:9]([CH2:4][OH:24])[O:34]2)[C@@H:15]([OH:29])[C@@H:10]([CH2:5][OH:25])[O:35]1 |
|