| Properties | Image |
|---|
| MNX_ID | MNXM164241 |
 |
| reference | metacycM:CPD-18559 |
| formula | C20H18N6O9P |
| global charge | -1 |
| mol weight | 517.371 |
| InChIKey | IINMNZBGBQCPID-BGIGGGFGSA-M |
| InChI | InChI=1S/C20H19N6O9P/c21-17-14-18(23-7-22-17)26(8-24-14)19-16(29)15(28)12(34-19)6-33-36(31,32)35-20(30)13-11(27)5-9-3-1-2-4-10(9)25-13/h1-5,7-8,12,15-16,19,27-29H,6H2,(H,31,32)(H2,21,22,23)/p-1/t12-,15-,16-,19-/m1/s1 |
| SMILES | NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])OC(=O)C2=NC3=CC=CC=C3C=C2O)[C@@H](O)[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C20H19N6O9P/c21-17-14-18(23-7-22-17)26(8-24-14)19-16(29)15(28)12(34-19)6-33-36(31,32)35-20(30)13-11(27)5-9-3-1-2-4-10(9)25-13/h1-5,7-8,12,15-16,19,27-29H,6H2,(H,31,32)(H2,21,22,23)/t12-,15-,16-,19-/m1/s1 |
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| SMILES (mnx) | [CH:1]1=[CH:2][CH:4]=[C:10]2[C:9](=[CH:3]1)[CH:5]=[C:11]([OH:27])[C:13]([C:20](=[O:30])[O:35][P:36]([OH:31])(=[O:32])[O:33][CH2:6][C@@H:12]1[C@@H:15]([OH:28])[C@@H:16]([OH:29])[C@H:19]([N:26]3[CH:8]=[N:24][C:14]4=[C:17]([NH2:21])[N:22]=[CH:7][N:23]=[C:18]43)[O:34]1)=[N:25]2 |
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