| Properties | Image |
|---|
| MNX_ID | MNXM1371273 |
 |
| reference | metacycM:CPD-4614 |
| formula | C16H23N5O6 |
| global charge | 0 |
| mol weight | 381.389 |
| InChIKey | UUPDCCPAOMDMPT-GIHYWFGSSA-N |
| InChI | InChI=1S/C16H23N5O6/c1-8(2-3-17-14-10-15(19-6-18-10)21-7-20-14)5-26-16-13(25)12(24)11(23)9(4-22)27-16/h2,6-7,9,11-13,16,22-25H,3-5H2,1H3,(H2,17,18,19,20,21)/b8-2+/t9-,11-,12+,13-,16+/m1/s1 |
| SMILES | C/C(=C\CNC1=NC=NC2=C1N=CN2)CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C16H23N5O6/c1-8(2-3-17-14-10-15(19-6-18-10)21-7-20-14)5-26-16-13(25)12(24)11(23)9(4-22)27-16/h2,6-7,9,11-13,16,22-25H,3-5H2,1H3,(H2,17,18,19,20,21)/b8-2+/t9-,11-,12+,13-,16+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1]/[C:8](=[CH:2]\[CH2:3][NH:17][C:14]1=[C:10]2[C:15](=[N:19][CH:6]=[N:18]2)[NH:21][CH:7]=[N:20]1)[CH2:5][O:26][C@@H:16]1[C@H:13]([OH:25])[C@@H:12]([OH:24])[C@H:11]([OH:23])[C@@H:9]([CH2:4][OH:22])[O:27]1 |
|