| Properties | Image |
|---|
| MNX_ID | MNXM1264463 |
 |
| reference | envipathM:...d74b8674dbdb |
| formula | C18H21N3O8 |
| global charge | 0 |
| mol weight | 407.379 |
| InChIKey | NEQJYRVEMYGRAX-WGEPELCKSA-N |
| InChI | InChI=1S/C18H21N3O8/c1-3-21-15-8(5-4-7(2)19-15)12(23)10(17(21)27)16(26)20-11-14(25)13(24)9(6-22)29-18(11)28/h4-5,9,11,13-14,22,24-25,27H,3,6H2,1-2H3,(H,20,26)/t9-,11-,13-,14-/m1/s1 |
| SMILES | CCN1C2=NC(C)=CC=C2C(=O)C(C(=O)N[C@H]2C(=O)O[C@H](CO)[C@@H](O)[C@@H]2O)=C1O |
MNX internals
| InChI (mnx) | InChI=1/C18H21N3O8/c1-3-21-15-8(5-4-7(2)19-15)12(23)10(17(21)27)16(26)20-11-14(25)13(24)9(6-22)29-18(11)28/h4-5,9,11,13-14,22,24-25,27H,3,6H2,1-2H3,(H,20,26)/t9-,11-,13-,14-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:3][N:21]1[C:15]2=[C:8]([CH:5]=[CH:4][C:7]([CH3:2])=[N:19]2)[C:12](=[O:23])[C:10]([C:16]([NH:20][C@@H:11]2[C@@H:14]([OH:25])[C@H:13]([OH:24])[C@@H:9]([CH2:6][OH:22])[O:29][C:18]2=[O:28])=[O:26])=[C:17]1[OH:27] |
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