| Name |
Quercetin 3-(6''''-feruloylglucosyl)-(1->2)-galactosyl-(1->2)-glucoside
3-[[O-6-O-[(2E)-3-(4-Hydroxy-3-methoxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranosyl-(1->2)-O-beta-D-galactopyranosyl-(1->2)-beta-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one |
| Formula |
C43H48O25 |
| Mw |
964.24846709 |
| CAS RN |
197294-29-4 |
| C_ID |
C00013884
, 
|
| InChIKey |
AZGSHRDQKXNYSL-ZAHSJTEKNA-N |
| InChICode |
InChI=1S/C43H48O25/c1-60-22-8-15(2-5-19(22)48)3-7-27(51)61-14-26-31(54)33(56)36(59)41(65-26)67-39-34(57)29(52)25(13-45)64-43(39)68-40-35(58)30(53)24(12-44)63-42(40)66-38-32(55)28-21(50)10-17(46)11-23(28)62-37(38)16-4-6-18(47)20(49)9-16/h2-11,24-26,29-31,33-36,39-50,52-54,56-59H,12-14H2,1H3/b7-3+/t24-,25+,26-,29+,30-,31-,33+,34+,35+,36+,39+,40-,41+,42+,43+/m1/s1 |
| SMILES |
COc1cc(/C=C/C(=O)OCC2O[C@@H](OC3[C@H](OC4[C@H](Oc5c(-c6ccc(O)c(O)c6)oc6cc(O)cc(O)c6c5=O)OC(CO)[C@@H](O)[C@@H]4O)OC(CO)[C@H](O)[C@@H]3O)C(O)[C@@H](O)[C@@H]2O)ccc1O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Ranunculaceae | Nigella sativa  | Ref. |
|
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