| Name |
Quercetin 3-(6''''-sinapylsophorotrioside) |
| Formula |
C44H50O26 |
| Mw |
994.25903177 |
| CAS RN |
167638-67-7 |
| C_ID |
C00005988
, 
|
| InChIKey |
XGPMZWIBBAEMRZ-NXPJRKEUNA-N |
| InChICode |
InChI=1S/C44H50O26/c1-61-22-7-15(8-23(62-2)29(22)52)3-6-27(51)63-14-26-32(55)34(57)37(60)42(67-26)69-40-35(58)30(53)25(13-46)66-44(40)70-41-36(59)31(54)24(12-45)65-43(41)68-39-33(56)28-20(50)10-17(47)11-21(28)64-38(39)16-4-5-18(48)19(49)9-16/h3-11,24-26,30-32,34-37,40-50,52-55,57-60H,12-14H2,1-2H3/b6-3+/t24-,25+,26+,30+,31+,32+,34-,35-,36-,37+,40+,41-,42-,43-,44-/m0/s1 |
| SMILES |
COc1cc(/C=C/C(=O)OCC2O[C@@H](OC3C(O)[C@H](O)C(CO)O[C@H]3OC3[C@H](Oc4c(-c5ccc(O)c(O)c5)oc5cc(O)cc(O)c5c4=O)OC(CO)[C@@H](O)[C@@H]3O)[C@H](O)C(O)[C@@H]2O)cc(OC)c1O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Fabaceae | Pisum sativum  | Ref. |
|
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