| Properties | Image |
MNX_ID | MNXM168107 |
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reference | sabiorkM:23756 |
formula | C9H11FN3O6P |
global charge | 0 |
mol weight | 307.174 |
InChIKey | LQBTWLBVRAPGNJ-VDTYLAMSSA-N |
InChI | InChI=1S/C9H11FN3O6P/c10-6-3-13(9(14)12-8(6)11)7-2-1-5(19-7)4-18-20(15,16)17/h1-3,5,7H,4H2,(H2,11,12,14)(H2,15,16,17)/t5-,7+/m1/s1 |
SMILES | N=C1N=C(O)N([C@@H]2C=C[C@H](COP(=O)(O)O)O2)C=C1F |
MNX internals
InChI (mnx) | InChI=1/C9H11FN3O6P/c10-6-3-13(9(14)12-8(6)11)7-2-1-5(19-7)4-18-20(15,16)17/h1-3,5,7H,4H2,(H2,11,12,14)(H2,15,16,17)/t5-,7+/m1/s1 |
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SMILES (mnx) | [CH:1]1=[CH:2][C@@H:7]([N:13]2[CH:3]=[C:6]([F:10])[C:8](=[NH:11])[N:12]=[C:9]2[OH:14])[O:19][C@H:5]1[CH2:4][O:18][P:20]([OH:15])([OH:16])=[O:17] |
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