| Properties | Image |
MNX_ID | MNXM1103374 |
 |
reference | seedM:cpd12729 |
formula | C10H11N4O7 |
global charge | -1 |
mol weight | 299.219 |
InChIKey | HDQQDHYWLVROSD-UMMCILCDSA-M |
InChI | InChI=1S/C10H12N4O7/c15-1-2-4(16)5(17)8(21-2)14-6-3(11-9(19)12-6)7(18)13-10(14)20/h2,4-5,8,15-17H,1H2,(H3,11,12,13,18,19,20)/p-1/t2-,4-,5-,8-/m1/s1 |
SMILES | O=C1[N-]C2=C([O-])NC(=O)N([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)C2=[NH+]1 |
MNX internals
InChI (mnx) | InChI=1/C10H12N4O7/c15-1-2-4(16)5(17)8(21-2)14-6-3(11-9(19)12-6)7(18)13-10(14)20/h2,4-5,8,15-17H,1H2,(H3,11,12,13,18,19,20)/t2-,4-,5-,8-/m1/s1 |
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SMILES (mnx) | [CH2:1]([C@@H:2]1[C@@H:4]([OH:16])[C@@H:5]([OH:17])[C@H:8]([N:14]2[C:6]3=[C:3]([C:7](=[O:18])[N-:13][C:10]2=[O:20])[NH+:11]=[C:9]([OH:19])[NH:12]3)[O:21]1)[OH:15] |
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