| Name |
Quercetin 3-glucoside-3'-sulfate
3-(beta-D-Glucopyranosyloxy)-5,7-dihydroxy-2-[4-hydroxy-3-(sulfooxy)phenyl]-4H-1-benzopyran-4-one |
| Formula |
C21H20O15S |
| Mw |
544.0522907 |
| CAS RN |
754176-91-5 |
| C_ID |
C00013898
, 
|
| InChIKey |
YXZPJASIVFGNHX-AMTOQFPDNA-N |
| InChICode |
InChI=1S/C21H20O15S/c22-6-13-15(26)17(28)18(29)21(34-13)35-20-16(27)14-10(25)4-8(23)5-12(14)33-19(20)7-1-2-9(24)11(3-7)36-37(30,31)32/h1-5,13,15,17-18,21-26,28-29H,6H2,(H,30,31,32)/t13-,15-,17+,18-,21+/m1/s1 |
| SMILES |
O=c1c(O[C@@H]2OC(CO)[C@@H](O)[C@H](O)C2O)c(-c2ccc(O)c(OS(=O)(=O)O)c2)oc2cc(O)cc(O)c12 |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Asteraceae | Centaurea bracteata | Ref. |
|
|
zoom in
| Organism | Centaurea bracteata |
|---|
| Reference | Flamini,Phytochem.,57,(2001),559 |
|---|
|
