| Properties | Image |
|---|
| MNX_ID | MNXM12357 |
 |
| reference | metacycM:CPD-10082 |
| formula | C21H25N7O6 |
| global charge | 0 |
| mol weight | 471.474 |
| InChIKey | KMIFETQCXBGPDB-AYTAQOBQSA-N |
| InChI | InChI=1S/C21H25N7O6/c1-10(30)26-13(6-11-2-4-12(31)5-3-11)20(33)27-15-14(7-29)34-21(17(15)32)28-9-25-16-18(22)23-8-24-19(16)28/h2-5,8-9,13-15,17,21,29,31-32H,6-7H2,1H3,(H,26,30)(H,27,33)(H2,22,23,24)/t13?,14-,15?,17-,21?/m1/s1 |
| SMILES | CC(=O)NC(CC1=CC=C(O)C=C1)C(=O)NC1[C@@H](O)C(N2C=NC3=C2N=CN=C3N)O[C@@H]1CO |
MNX internals
| InChI (mnx) | InChI=1/C21H25N7O6/c1-10(30)26-13(6-11-2-4-12(31)5-3-11)20(33)27-15-14(7-29)34-21(17(15)32)28-9-25-16-18(22)23-8-24-19(16)28/h2-5,8-9,13-15,17,21,29,31-32H,6-7H2,1H3,(H,26,30)(H,27,33)(H2,22,23,24)/t13?,14-,15?,17-,21?/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C:10](=[N:26][CH:13]([CH2:6][C:11]1=[CH:3][CH:5]=[C:12]([OH:31])[CH:4]=[CH:2]1)[C:20](=[N:27][CH:15]1[C@@H:14]([CH2:7][OH:29])[O:34][CH:21]([N:28]2[CH:9]=[N:25][C:16]3=[C:18]([NH2:22])[N:23]=[CH:8][N:24]=[C:19]32)[C@@H:17]1[OH:32])[OH:33])[OH:30] |
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