| Properties | Image | Occurences in reactions |
MNX_ID | MNXM739689 |
|
| #reac |
in my sandbox |
0 |
in MNXref (generic) | 3 |
in models (compartimentalized) |
6 |
|
formula | C22H29O10 |
charge | -1 |
mass | 453.17662 |
reference | biggM:CE5853 |
InChIKey | ZYZYJRHWJQUARI-DRLIGIOESA-M |
InChI | InChI=1S/C22H30O10/c1-9-10(2)18-12(11(3)14(9)24)5-7-22(4,32-18)8-6-13(23)30-21-17(27)15(25)16(26)19(31-21)20(28)29/h15-17,19,21,24-27H,5-8H2,1-4H3,(H,28,29)/p-1/t15-,16+,17-,19-,21+,22?/m1/s1 |
SMILES | Cc1c(C)c2c(c(C)c1[O-])CCC(C)(CCC(=O)O[C@H]1O[C@@H](C(=O)O)[C@@H](O)[C@@H](O)[C@H]1O)O2 |
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