| Properties | Image |
| MNX_ID | MNXM108467 |
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| reference | chebi:70986 |
| formula | C12H18N4O7 |
| global charge | 0 |
| mol weight | 330.297 |
| InChIKey | XWQSDJQJJYATRM-AUYINJEUSA-N |
| InChI | InChI=1S/C12H18N4O7/c17-3-5-1-16(2-6(19)9(21)7(20)4-18)10-8(13-5)11(22)15-12(23)14-10/h5-7,9,17-21H,1-4H2,(H,15,22,23)/t5?,6-,7+,9-/m0/s1 |
| SMILES | O=C1N=C2C(=NC(CO)CN2C[C@H](O)[C@H](O)[C@H](O)CO)C(=O)N1 |
MNX internals
| InChI (mnx) | InChI=1/C12H18N4O7/c17-3-5-1-16(2-6(19)9(21)7(20)4-18)10-8(13-5)11(22)15-12(23)14-10/h5-7,9,17-21H,1-4H2,(H,15,22,23)/t5?,6-,7+,9-/m0/s1 |
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| SMILES (mnx) | [CH2:1]1[CH:5]([CH2:3][OH:17])[N:13]=[C:8]2[C:10](=[N:14][C:12](=[O:23])[N:15]=[C:11]2[OH:22])[N:16]1[CH2:2][C@@H:6]([C@@H:9]([C@@H:7]([CH2:4][OH:18])[OH:20])[OH:21])[OH:19] |
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