| Name |
Isorhamnetin 3-(6''-(E)-sinapoylsophoroside)
Quercetin 3'-methyl ether 3-(6''-(E)-sinapoylsophoroside) |
| Formula |
C39H42O21 |
| Mw |
846.22185841 |
| CAS RN |
|
| C_ID |
C00013921
, 
|
| InChIKey |
DOFVGYIVCBEEQK-OYDSCEKHNA-N |
| InChICode |
InChI=1S/C39H42O21/c1-52-20-10-16(5-6-18(20)42)35-36(31(48)27-19(43)11-17(41)12-21(27)56-35)59-39-37(60-38-34(51)32(49)29(46)24(13-40)57-38)33(50)30(47)25(58-39)14-55-26(44)7-4-15-8-22(53-2)28(45)23(9-15)54-3/h4-12,24-25,29-30,32-34,37-43,45-47,49-51H,13-14H2,1-3H3/b7-4+/t24-,25+,29+,30+,32-,33-,34+,37+,38-,39-/m0/s1 |
| SMILES |
COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2OC(COC(=O)/C=C/c3cc(OC)c(O)c(OC)c3)[C@@H](O)[C@H](O)C2O[C@@H]2OC(CO)[C@@H](O)[C@H](O)C2O)ccc1O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Fabaceae | Cassia marginata | Ref. |
|
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