| Properties | Image | Occurences in reactions |
MNX_ID | MNXM1112795 |
|
| #reac |
in my sandbox |
0 |
in MNXref (generic) | 0 |
in models (compartimentalized) |
0 |
|
formula | C22H28O7 |
charge | 0 |
mass | 404.1835 |
reference | chebi:146784 |
InChIKey | NTAPKTSBAKEYPS-MLVSFPLASA-N |
InChI | InChI=1S/C22H28O7/c1-6-26-18-15(11-23)9-7-8-12(2)10-16-17(13(3)20(24)27-16)19(18)28-21(25)22(5)14(4)29-22/h9-11,14,16-19H,3,6-8H2,1-2,4-5H3/b12-10-,15-9-/t14-,16+,17+,18+,19+,22-/m0/s1 |
SMILES | C=C1C(=O)O[C@@H]2/C=C(\C)CC/C=C(/C=O)[C@@H](OCC)[C@H](OC(=O)[C@@]3(C)O[C@H]3C)[C@H]12 |
|