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retinyl ester
MNXM1443 is deprecated and here replaced by MNXM728432
!!! Alternative mappings exist !!!
| Properties | Image |
|---|
| MNX_ID | MNXM728432 |
 |
| reference | chebi:16179 |
| formula | C21H29O2* |
| global charge | 0 |
| mol weight | |
| InChIKey | |
| InChI | |
| SMILES | [*]C(=O)OCC=C(C)C=CC=C(C)C=CC1=C(C)CCCC1(C)C |
MNX internals
| InChI (mnx) | InChI=1/C22H32O2/c1-17(9-7-10-18(2)14-16-24-20(4)23)12-13-21-19(3)11-8-15-22(21,5)6/h7,9-10,12-14H,8,11,15-16H2,1-6H3/b10-7?,13-12?,17-9?,18-14?/i4+1 |
 |
| SMILES (mnx) | [CH3:1][C:17](=[CH:9][CH:7]=[CH:10][C:18]([CH3:2])=[CH:14][CH2:16][O:24][C:20]([13CH3:4])=[O:23])[CH:12]=[CH:13][C:21]1=[C:19]([CH3:3])[CH2:11][CH2:8][CH2:15][C:22]1([CH3:5])[CH3:6] |
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| Parent-child relations graph |
| Occurences in reactions | #reac |
|---|
| in my sandbox |
0 |
| in MNXref (generic) | 0 |
| in models (compartimentalized) |
0 |
|