| Properties | Image |
|---|
| MNX_ID | MNXM747299 |
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| reference | chebi:143705 |
| formula | C19H17N3O12P |
| global charge | -3 |
| mol weight | 510.328 |
| InChIKey | TVDWUIWMKSEGKW-ZNMIVQPWSA-K |
| InChI | InChI=1S/C19H20N3O12P/c1-8(18(28)29)34-35(31,32)33-7-14(25)15(26)13(24)6-22-12-5-10(23)3-2-9(12)4-11-16(22)20-19(30)21-17(11)27/h2-5,13-15,24-26H,1,6-7H2,(H4,20,21,23,27,28,29,30,31,32)/p-3/t13-,14+,15-/m0/s1 |
| SMILES | C=C(OP(=O)([O-])OC[C@@H](O)[C@@H](O)[C@@H](O)CN1C2=CC(O)=CC=C2C=C2C(=O)[N-]C(=O)N=C21)C(=O)[O-] |
MNX internals
| InChI (mnx) | InChI=1/C19H20N3O12P/c1-8(18(28)29)34-35(31,32)33-7-14(25)15(26)13(24)6-22-12-5-10(23)3-2-9(12)4-11-16(22)20-19(30)21-17(11)27/h2-5,13-15,24-26H,1,6-7H2,(H4,20,21,23,27,28,29,30,31,32)/t13-,14+,15-/m0/s1 |
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| SMILES (mnx) | [CH2:1]=[C:8]([C:18](=[O:28])[OH:29])[O:34][P:35](=[O:31])([OH:32])[O:33][CH2:7][C@H:14]([C@H:15]([C@H:13]([CH2:6][N:22]1[C:12]2=[CH:5][C:10](=[O:23])[CH:3]=[CH:2][C:9]2=[CH:4][C:11]2=[C:16]1[NH+:20]=[C:19]([OH:30])[N-:21][C:17]2=[O:27])[OH:24])[OH:26])[OH:25] |
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