| Properties | Image |
| MNX_ID | MNXM118162 |
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| reference | chebi:47131 |
| formula | C9H12BrN2O9P |
| global charge | 0 |
| mol weight | 403.078 |
| InChIKey | IDPVUMJNEZFMNU-UAKXSSHOSA-N |
| InChI | InChI=1S/C9H12BrN2O9P/c10-3-1-12(9(16)11-7(3)15)8-6(14)5(13)4(21-8)2-20-22(17,18)19/h1,4-6,8,13-14H,2H2,(H,11,15,16)(H2,17,18,19)/t4-,5-,6-,8-/m1/s1 |
| SMILES | O=C1NC(=O)N([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)C=C1Br |
MNX internals
| InChI (mnx) | InChI=1/C9H12BrN2O9P/c10-3-1-12(9(16)11-7(3)15)8-6(14)5(13)4(21-8)2-20-22(17,18)19/h1,4-6,8,13-14H,2H2,(H,11,15,16)(H2,17,18,19)/t4-,5-,6-,8-/m1/s1 |
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| SMILES (mnx) | [CH:1]1=[C:3]([Br:10])[C:7]([OH:15])=[N:11][C:9](=[O:16])[N:12]1[C@H:8]1[C@H:6]([OH:14])[C@H:5]([OH:13])[C@@H:4]([CH2:2][O:20][P:22]([OH:17])([OH:18])=[O:19])[O:21]1 |
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