| Properties | Image | Occurences in reactions |
|---|
| MNX_ID | MNXM164211 | 
|
| #reac |
|---|
| in my sandbox |
0 |
| in MNXref (generic) | 3 |
| in models (compartimentalized) |
0 |
|
| formula | C21H28O9 |
| charge | 0 |
| mass | 424.17333 |
| reference | metacycM:CPD-18414 |
| InChIKey | ILEMKIHPSTWKCL-NCHBFNGESA-N |
| InChI | InChI=1S/C21H28O9/c1-10-6-15-20(7-14(10)25,8-26-11(2)22)19(5)17(29-13(4)24)16(28-12(3)23)18(30-15)21(19)9-27-21/h6,14-18,25H,7-9H2,1-5H3/t14-,15+,16+,17+,18+,19+,20+,21?/m0/s1 |
| SMILES | CC(=O)OC[C@]12C[C@H](O)C(C)=C[C@H]1O[C@@H]1[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@]2(C)C12CO2 |
|
