| Name |
1,2'-Disinapoylgentiobiose |
| Formula |
C34H42O19 |
| Mw |
754.23202916 |
| CAS RN |
1010691-92-5 |
| C_ID |
C00056335
|
| InChIKey |
ATCNXTHZXYFDNN-QGDNGYMSSA-N |
| InChICode |
InChI=1S/C34H42O19/c1-45-17-9-15(10-18(46-2)25(17)37)5-7-23(35)49-13-21-27(39)29(41)31(43)33(51-21)50-14-22-28(40)30(42)32(44)34(52-22)53-24(36)8-6-16-11-19(47-3)26(38)20(12-16)48-4/h5-12,21-22,27-34,37-44H,13-14H2,1-4H3/b7-5+,8-6+/t21-,22-,27-,28-,29+,30+,31-,32-,33-,34+/m1/s1 |
| SMILES |
COc1cc(/C=C/C(=O)OC[C@H]2O[C@@H](OC[C@H]3O[C@@H](OC(=O)/C=C/c4cc(OC)c(O)c(OC)c4)[C@H](O)[C@@H](O)[C@@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)cc(OC)c1O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Brassicaceae | Wasabia japonica  | Ref. |
|
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