| Name |
Quercetin 3-(6''-caffeoylsophoroside)
2-(3,4-Dihydroxyphenyl)-3-[[6-O-[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]-2-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl]oxy]-5,7-dihydroxy-4H-1-benzopyran-4-one |
| Formula |
C36H36O20 |
| Mw |
788.17999359 |
| CAS RN |
365544-18-9 |
| C_ID |
C00013877
, 
|
| InChIKey |
MNQXYDTZVQQBJH-FRDUKRLMNA-N |
| InChICode |
InChI=1S/C36H36O20/c37-11-22-26(45)29(48)31(50)35(53-22)56-34-30(49)27(46)23(12-51-24(44)6-2-13-1-4-16(39)18(41)7-13)54-36(34)55-33-28(47)25-20(43)9-15(38)10-21(25)52-32(33)14-3-5-17(40)19(42)8-14/h1-10,22-23,26-27,29-31,34-43,45-46,48-50H,11-12H2/b6-2+/t22-,23+,26+,27+,29-,30-,31+,34+,35-,36-/m0/s1 |
| SMILES |
O=C(/C=C/c1ccc(O)c(O)c1)OCC1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)C(O[C@@H]2OC(CO)[C@@H](O)[C@H](O)C2O)[C@@H](O)[C@@H]1O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Chenopodiaceae | Bassia muricata  | Ref. |
|
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