| Name |
Quercetin 3-(6''''-caffeylsophorotrioside) |
| Formula |
C42H46O25 |
| Mw |
950.23281702 |
| CAS RN |
167638-64-4 |
| C_ID |
C00005986
, 
|
| InChIKey |
XXCKFJNPDRDYOK-DBNNKRCENA-N |
| InChICode |
InChI=1S/C42H46O25/c43-11-23-29(53)34(58)39(41(62-23)65-37-31(55)27-21(50)9-16(45)10-22(27)61-36(37)15-3-5-18(47)20(49)8-15)67-42-38(33(57)28(52)24(12-44)63-42)66-40-35(59)32(56)30(54)25(64-40)13-60-26(51)6-2-14-1-4-17(46)19(48)7-14/h1-10,23-25,28-30,32-35,38-50,52-54,56-59H,11-13H2/b6-2+/t23-,24+,25-,28-,29-,30-,32+,33-,34+,35-,38-,39+,40+,41+,42+/m1/s1 |
| SMILES |
O=C(/C=C/c1ccc(O)c(O)c1)OCC1O[C@@H](OC2C(O)[C@H](O)C(CO)O[C@H]2OC2[C@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)OC(CO)[C@@H](O)[C@@H]2O)[C@H](O)C(O)[C@@H]1O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Fabaceae | Pisum sativum  | Ref. |
|
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