| Properties | Image | Occurences in reactions |
MNX_ID | MNXM149068 |
|
| #reac |
in my sandbox |
0 |
in MNXref (generic) | 1 |
in models (compartimentalized) |
0 |
|
formula | C24H36O6 |
charge | 0 |
mass | 420.25119 |
reference | metacycM:CPD-16946 |
InChIKey | URCZXARNJBJYET-AEEZTXMNSA-N |
InChI | InChI=1S/C24H36O6/c1-5-24(3,4)23(28)30-20-12-16(25)10-15-7-6-14(2)19(22(15)20)9-8-18-11-17(26)13-21(27)29-18/h6-7,10,14,16-20,22,25-26H,5,8-9,11-13H2,1-4H3/t14-,16-,17+,18+,19-,20-,22-/m0/s1 |
SMILES | CCC(C)(C)C(=O)O[C@H]1C[C@@H](O)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@H]21 |
|