| Name |
Quercetin 3-sophoroside-7-(6''-(E)-caffeoylglucoside)
2-(3,4-Dihydroxyphenyl)-7-[[6-O-[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranosyl]oxy]-3-[(2-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl)oxy]-5-hydroxy-4H-1-benzopyran-4-one |
| Formula |
C42H46O25 |
| Mw |
950.23281702 |
| CAS RN |
247576-99-4 |
| C_ID |
C00013889
, 
|
| InChIKey |
RDOITNGZSUKMKE-XYHKKQIANA-N |
| InChICode |
InChI=1S/C42H46O25/c43-11-23-28(51)32(55)36(59)41(63-23)67-39-34(57)29(52)24(12-44)64-42(39)66-38-31(54)27-21(49)9-16(10-22(27)62-37(38)15-3-5-18(46)20(48)8-15)61-40-35(58)33(56)30(53)25(65-40)13-60-26(50)6-2-14-1-4-17(45)19(47)7-14/h1-10,23-25,28-30,32-36,39-49,51-53,55-59H,11-13H2/b6-2+/t23-,24-,25-,28-,29-,30-,32+,33+,34+,35-,36+,39-,40-,41+,42+/m1/s1 |
| SMILES |
c1c(cc(c(c1)O)O)c1oc2c(c(=O)c1O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)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)COC(=O)/C=C/c1cc(c(cc1)O)O)O)O)O)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Araceae | Symplocarpus renifolius | Ref. |
|
|
zoom in
|
