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MNXM148961 is deprecated and here replaced by MNXM1368266
!!! Alternative mappings exist !!!
| Properties | Image |
|---|
| MNX_ID | MNXM1368266 |
 |
| reference | metacycM:CPD-17134 |
| formula | C23H23NO5 |
| global charge | -2 |
| mol weight | 393.439 |
| InChIKey | JPEPADZRBGRSTQ-ZDNNFFFZSA-M |
| InChI | InChI=1S/C23H24NO5/c1-4-15(2)13-16(3)7-5-6-8-20(26)21-22(27)19(14-24(29)23(21)28)17-9-11-18(25)12-10-17/h5-15,25,27H,4H2,1-3H3/q-1/p-1/b7-5+,8-6+,16-13+ |
| SMILES | CCC(C)/C=C(C)/C=C/C=C/C(=O)C1=C([O-])C(C2=CC=C(O)C=C2)=CN([O-])C1=O |
MNX internals
| InChI (mnx) | InChI=1/C23H24NO5/c1-4-15(2)13-16(3)7-5-6-8-20(26)21-22(27)19(14-24(29)23(21)28)17-9-11-18(25)12-10-17/h5-15,25,27H,4H2,1-3H3/q-1/b7-5+,8-6+,16-13+/t15? |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH:15]([CH3:2])/[CH:13]=[C:16]([CH3:3])/[CH:7]=[CH:5]/[CH:6]=[CH:8]/[C:20]([C:21]1=[C:22]([OH:27])[C:19]([C:17]2=[CH:10][CH:12]=[C:18]([OH:25])[CH:11]=[CH:9]2)=[CH:14][N:24]([O-:29])[C:23]1=[O:28])=[O:26] |
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| Parent-child relations graph |
| Occurences in reactions | #reac |
|---|
| in my sandbox |
0 |
| in MNXref (generic) | 1 |
| in models (compartimentalized) |
0 |
|