| Name |
Quercetin 3-(2''-sinapoylglucoside)-3'-(6''-sinapoylglucoside)-4'-glucoside
2-[4-(beta-D-Glucopyranosyloxy)-3-[[6-O-[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranosyl]oxy]phenyl]-5,7-dihydroxy-3-[[2-O-[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranosyl]oxy]-4H-1-benzopyran-4-one |
| Formula |
C55H60O30 |
| Mw |
1200.31694058 |
| CAS RN |
352639-77-1 |
| C_ID |
C00013892
, 
|
| InChIKey |
MSTNHYRQLRIDJE-MTIYNKORNA-N |
| InChICode |
InChI=1S/C55H60O30/c1-73-29-11-21(12-30(74-2)39(29)62)5-9-36(60)77-20-35-43(66)46(69)49(72)54(83-35)80-27-15-23(7-8-26(27)79-53-48(71)45(68)41(64)33(18-56)81-53)50-51(44(67)38-25(59)16-24(58)17-28(38)78-50)85-55-52(47(70)42(65)34(19-57)82-55)84-37(61)10-6-22-13-31(75-3)40(63)32(14-22)76-4/h5-17,33-35,41-43,45-49,52-59,62-66,68-72H,18-20H2,1-4H3/b9-5+,10-6+/t33-,34-,35-,41-,42-,43-,45-,46+,47+,48+,49-,52-,53-,54-,55+/m1/s1 |
| SMILES |
COc1cc(/C=C/C(=O)OC[C@H]2O[C@@H](Oc3cc(-c4oc5cc(O)cc(O)c5c(=O)c4O[C@@H]4OC(CO)[C@@H](O)[C@H](O)C4OC(=O)/C=C/c4cc(OC)c(O)c(OC)c4)ccc3O[C@@H]3O[C@H](CO)[C@@H](O)C(O)C3O)C(O)C(O)[C@@H]2O)cc(OC)c1O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Cruciferae | Eruca sativa  | Ref. |
|
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