| Properties | Image | Occurences in reactions |
|---|
| MNX_ID | MNXM161448 | 
|
| #reac |
|---|
| in my sandbox |
0 |
| in MNXref (generic) | 0 |
| in models (compartimentalized) |
0 |
|
| formula | C50H78CaO12 |
| charge | 0 |
| mass | 910.51192 |
| reference | keggD:D03816 |
| InChIKey | FGHWDPOUOIKHKK-XQOMDNQHSA-L |
| InChI | InChI=1S/2C25H40O6.Ca/c2*1-6-25(4,5)24(30)31-21-12-15(2)11-17-8-7-16(3)20(23(17)21)10-9-18(26)13-19(27)14-22(28)29;/h2*7-8,11,15-16,18-21,23,26-27H,6,9-10,12-14H2,1-5H3,(H,28,29);/q;;+2/p-2/t2*15-,16-,18+,19+,20-,21-,23-;/m00./s1 |
| SMILES | [Ca+2].[H][C@@]12C(=C[C@H](C)C[C@@H]1OC(=O)C(C)(C)CC)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[H][C@@]12C(=C[C@H](C)C[C@@H]1OC(=O)C(C)(C)CC)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-] |
|
