| Name |
Quercetin 3-rutinoside-7-(6''-benzoylglucoside)
7-[(6-O-Benzoyl-beta-D-glucopyranosyl)oxy]-3-[[6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5-hydroxy-4H-1-benzopyran-4-one |
| Formula |
C40H44O22 |
| Mw |
876.23242309 |
| CAS RN |
351217-48-6 |
| C_ID |
C00013885
, 
|
| InChIKey |
YSNYMPOATIYVGO-TYGAVHIINA-N |
| InChICode |
InChI=1S/C40H44O22/c1-14-25(44)29(48)32(51)38(57-14)56-13-23-27(46)31(50)34(53)40(61-23)62-36-28(47)24-20(43)10-17(11-21(24)59-35(36)16-7-8-18(41)19(42)9-16)58-39-33(52)30(49)26(45)22(60-39)12-55-37(54)15-5-3-2-4-6-15/h2-11,14,22-23,25-27,29-34,38-46,48-53H,12-13H2,1H3/t14-,22+,23-,25-,26+,27+,29+,30-,31-,32-,33-,34+,38+,39+,40-/m0/s1 |
| SMILES |
CC1O[C@@H](OCC2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O[C@@H]5OC(COC(=O)c6ccccc6)[C@@H](O)[C@H](O)C5O)cc(O)c4c3=O)C(O)[C@@H](O)[C@@H]2O)[C@@H](O)C(O)[C@H]1O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Rubiaceae | Canthium dicoccum  | Ref. |
|
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