| Properties | Image | Occurences in reactions |
MNX_ID | MNXM105141 |
|
| #reac |
in my sandbox |
0 |
in MNXref (generic) | 0 |
in models (compartimentalized) |
0 |
|
formula | C28H40O11 |
charge | 0 |
mass | 552.25706 |
reference | chebi:69815 |
InChIKey | JMDGBSYRPFFZBO-WHDWRCRCSA-N |
InChI | InChI=1S/C28H40O11/c1-12-6-18-26(35,23(12)34)9-15(11-37-24-21(33)20(32)19(31)17(10-29)38-24)7-16-22-25(4,5)27(22,39-14(3)30)8-13(2)28(16,18)36/h6-7,13,16-22,24,29,31-33,35-36H,8-11H2,1-5H3/t13-,16+,17-,18-,19-,20+,21-,22-,24-,26-,27+,28-/m1/s1 |
SMILES | CC(=O)O[C@@]12C[C@@H](C)[C@@]3(O)[C@@H](C=C(CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C[C@]4(O)C(=O)C(C)=C[C@H]43)[C@@H]1C2(C)C |
|