| Name |
1-(3,4-Dihydroxy-5-methoxycinnamoyl)-2'-sinapoylgentiobiose |
| Formula |
C33H40O19 |
| Mw |
740.2163791 |
| CAS RN |
1010691-91-4 |
| C_ID |
C00056334
|
| InChIKey |
AMVVQRSYWNRACS-IZDBKRPGSA-N |
| InChICode |
InChI=1S/C33H40O19/c1-45-17-9-14(8-16(34)24(17)37)5-7-23(36)52-33-31(44)29(42)27(40)21(51-33)13-49-32-30(43)28(41)26(39)20(50-32)12-48-22(35)6-4-15-10-18(46-2)25(38)19(11-15)47-3/h4-11,20-21,26-34,37-44H,12-13H2,1-3H3/b6-4+,7-5+/t20-,21-,26-,27-,28+,29+,30-,31-,32-,33+/m1/s1 |
| SMILES |
COc1cc(/C=C/C(=O)O[C@@H]2O[C@H](CO[C@@H]3O[C@H](COC(=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(O)c1O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Brassicaceae | Wasabia japonica  | Ref. |
|
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