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Malonylshisonin
MNXM8856 is deprecated and here replaced by MNXM741057
!!! Alternative mappings exist !!!
| Properties | Image | Occurences in reactions |
|---|
| MNX_ID | MNXM741057 | 
|
| #reac |
|---|
| in my sandbox |
0 |
| in MNXref (generic) | 1 |
| in models (compartimentalized) |
0 |
|
| formula | C39H39O21 |
| charge | 0 |
| mass | 843.19838 |
| reference | sabiorkM:29037 |
| InChIKey | GZSRVFRCTHMGBI-FPYGCLRLSA-N |
| InChI | InChI=1S/C39H39O21/c40-18-5-1-16(2-6-18)3-8-29(46)54-14-26-31(48)34(51)36(53)39(60-26)58-25-12-20-23(56-37(25)17-4-7-21(42)22(43)9-17)10-19(41)11-24(20)57-38-35(52)33(50)32(49)27(59-38)15-55-30(47)13-28(44)45/h1-12,26-27,31-36,38-43,48-53H,13-15H2,(H,44,45)/b8-3+ |
| SMILES | O=C(O)CC(=O)OCC1OC(OC2=CC(O)=C[C]3OC(c4ccc(O)c(O)c4)=C(OC4OC(COC(=O)/C=C/c5ccc(O)cc5)C(O)C(O)C4O)C=C32)C(O)C(O)C1O |
|
| Parent-child relations graph |
Deprecated MNXref IDs graph |
