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2-heptyl-4-quinolone
MNXM9827 is deprecated and here replaced by MNXM1112494
!!! Alternative mappings exist !!!
| Properties | Image |
|---|
| MNX_ID | MNXM1112494 |
 |
| reference | metacycM:CPD-12836 |
| formula | C16H21NO |
| global charge | 0 |
| mol weight | 243.35 |
| InChIKey | UYRHHBXYXSYGHA-UHFFFAOYSA-N |
| InChI | InChI=1S/C16H21NO/c1-2-3-4-5-6-9-13-12-16(18)14-10-7-8-11-15(14)17-13/h7-8,10-12H,2-6,9H2,1H3,(H,17,18) |
| SMILES | CCCCCCCC1=CC(=O)C2=C(C=CC=C2)N1 |
MNX internals
| InChI (mnx) | InChI=1/C16H21NO/c1-2-3-4-5-6-9-13-12-16(18)14-10-7-8-11-15(14)17-13/h7-8,10-12H,2-6,9H2,1H3,(H,17,18) |
 |
| SMILES (mnx) | [CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:9][C:13]1=[CH:12][C:16](=[O:18])[C:14]2=[CH:10][CH:7]=[CH:8][CH:11]=[C:15]2[NH:17]1 |
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| Parent-child relations graph |
| Occurences in reactions | #reac |
|---|
| in my sandbox |
0 |
| in MNXref (generic) | 4 |
| in models (compartimentalized) |
0 |
|