| Properties | Image |
|---|
| MNX_ID | MNXM819808 |
 |
| reference | sabiorkM:31370 |
| formula | C26H33N7O16P2 |
| global charge | 0 |
| mol weight | 761.531 |
| InChIKey | SIISPCOMPWBVGV-OHOFDTSCSA-N |
| InChI | InChI=1S/C26H33N7O16P2/c1-10-5-12-13(6-11(10)2)33(22-18(28-12)23(39)31-25(40)30-22)7-14(34)19(36)15(35)8-46-50(42,43)49-51(44,45)47-9-16-20(37)21(38)24(48-16)32-4-3-17(27)29-26(32)41/h3-6,14-16,19-21,24,34-38H,7-9H2,1-2H3,(H,42,43)(H,44,45)(H2,27,29,41)(H,31,39,40)/t14-,15+,16+,19-,20+,21+,24+/m0/s1 |
| SMILES | CC1=CC2=C(C=C1C)N(C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N3C=CC(=N)N=C3O)[C@H](O)[C@@H]1O)C1=NC(=O)N=C(O)C1=N2 |
MNX internals
| InChI (mnx) | InChI=1/C26H33N7O16P2/c1-10-5-12-13(6-11(10)2)33(22-18(28-12)23(39)31-25(40)30-22)7-14(34)19(36)15(35)8-46-50(42,43)49-51(44,45)47-9-16-20(37)21(38)24(48-16)32-4-3-17(27)29-26(32)41/h3-6,14-16,19-21,24,34-38H,7-9H2,1-2H3,(H,42,43)(H,44,45)(H2,27,29,41)(H,31,39,40)/t14-,15+,16+,19-,20+,21+,24+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C:10]1=[CH:5][C:12]2=[C:13]([CH:6]=[C:11]1[CH3:2])[N:33]([CH2:7][C@@H:14]([C@@H:19]([C@@H:15]([CH2:8][O:46][P:50]([OH:42])(=[O:43])[O:49][P:51]([OH:44])(=[O:45])[O:47][CH2:9][C@@H:16]1[C@@H:20]([OH:37])[C@@H:21]([OH:38])[C@H:24]([N:32]3[CH:4]=[CH:3][C:17](=[NH:27])[N:29]=[C:26]3[OH:41])[O:48]1)[OH:35])[OH:36])[OH:34])[C:22]1=[N:30][C:25](=[O:40])[N:31]=[C:23]([OH:39])[C:18]1=[N:28]2 |
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