| Properties | Image | Occurences in reactions |
MNX_ID | MNXM105805 |
|
| #reac |
in my sandbox |
0 |
in MNXref (generic) | 0 |
in models (compartimentalized) |
0 |
|
formula | C22H30O8 |
charge | 0 |
mass | 422.19407 |
reference | chebi:67663 |
InChIKey | RIGOPXZOWRKRQX-XYKAAUHVSA-N |
InChI | InChI=1S/C22H30O8/c1-9-11-5-6-12-20-13(29-10(2)23)7-8-19(3,4)14(20)17(26)22(28,30-18(20)27)21(12,15(9)24)16(11)25/h11-17,24-26,28H,1,5-8H2,2-4H3/t11-,12+,13+,14-,15-,16-,17+,20+,21+,22+/m1/s1 |
SMILES | C=C1[C@H]2CC[C@H]3[C@@]45C(=O)O[C@@](O)([C@@H](O)[C@@H]4C(C)(C)CC[C@@H]5OC(C)=O)[C@@]3([C@@H]1O)[C@@H]2O |
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