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ardeemin FQ
MNXM148085 is deprecated and replaced by MNXM1100784
| Properties | Image |
|---|
| MNX_ID | MNXM1100784 |
 |
| reference | metacycM:CPD-16984 |
| formula | C21H18N4O2 |
| global charge | 0 |
| mol weight | 358.401 |
| InChIKey | FHOFNRAVYAGXCQ-XIKOKIGWSA-N |
| InChI | InChI=1S/C21H18N4O2/c1-12-20(26)24-18(10-13-11-22-16-8-4-2-6-14(13)16)19-23-17-9-5-3-7-15(17)21(27)25(12)19/h2-9,11-12,18,22H,10H2,1H3,(H,24,26)/t12-,18+/m1/s1 |
| SMILES | C[C@@H]1C(=O)N[C@@H](CC2=CNC3=CC=CC=C23)C2=NC3=CC=CC=C3C(=O)N21 |
MNX internals
| InChI (mnx) | InChI=1/C21H18N4O2/c1-12-20(26)24-18(10-13-11-22-16-8-4-2-6-14(13)16)19-23-17-9-5-3-7-15(17)21(27)25(12)19/h2-9,11-12,18,22H,10H2,1H3,(H,24,26)/t12-,18+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C@@H:12]1[C:20]([OH:26])=[N:24][C@@H:18]([CH2:10][C:13]2=[CH:11][NH:22][C:16]3=[CH:8][CH:4]=[CH:2][CH:6]=[C:14]23)[C:19]2=[N:23][C:17]3=[CH:9][CH:5]=[CH:3][CH:7]=[C:15]3[C:21](=[O:27])[N:25]12 |
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| Parent-child relations graph |
| Occurences in reactions | #reac |
|---|
| in my sandbox |
0 |
| in MNXref (generic) | 2 |
| in models (compartimentalized) |
0 |
|