| Name |
Quercetin 3-(6''-caffeoylsophoroside)-7-rhamnoside
7-[(6-deoxy-alpha-L-mannopyranosyl)oxy]-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-hydroxy-4H-1-benzopyran-4-one |
| Formula |
C42H46O24 |
| Mw |
934.2379024 |
| CAS RN |
342620-93-3 |
| C_ID |
C00013888
, 
|
| InChIKey |
BNYDLXBTNLOWPZ-HZEWZQJBNA-N |
| InChICode |
InChI=1S/C42H46O24/c1-14-28(50)32(54)35(57)40(60-14)61-17-10-22(48)27-23(11-17)62-37(16-4-6-19(45)21(47)9-16)38(31(27)53)65-42-39(66-41-36(58)33(55)29(51)24(12-43)63-41)34(56)30(52)25(64-42)13-59-26(49)7-3-15-2-5-18(44)20(46)8-15/h2-11,14,24-25,28-30,32-36,39-48,50-52,54-58H,12-13H2,1H3/b7-3+/t14-,24-,25+,28-,29+,30+,32+,33-,34-,35-,36+,39+,40-,41-,42-/m0/s1 |
| SMILES |
c1c(cc(c(c1)O)O)c1oc2c(c(=O)c1O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COC(=O)/C=C/c1cc(c(cc1)O)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)CO)O)O)O)c(cc(c2)O[C@H]1[C@H]([C@@H]([C@H]([C@@H](O1)C)O)O)O)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Ranunculaceae | Aconitum baicalense | Ref. |
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