| Name |
Kaempferol 3-(2''''-sinapylglucosyl)(1->4)(6'''-sinapylglucosyl)(1->2)-galactoside |
| Formula |
C55H60O29 |
| Mw |
1184.32202596 |
| CAS RN |
168781-61-1 |
| C_ID |
C00005901
, 
|
| InChIKey |
ZPWIQRPHNUHHCS-DDLGTCCDNA-N |
| InChICode |
InChI=1S/C55H60O29/c1-72-29-13-22(14-30(73-2)39(29)63)5-11-36(61)76-21-35-49(82-54-51(44(68)41(65)33(19-56)78-54)81-37(62)12-6-23-15-31(74-3)40(64)32(16-23)75-4)46(70)47(71)53(80-35)84-52-45(69)42(66)34(20-57)79-55(52)83-50-43(67)38-27(60)17-26(59)18-28(38)77-48(50)24-7-9-25(58)10-8-24/h5-18,33-35,41-42,44-47,49,51-60,63-66,68-71H,19-21H2,1-4H3/b11-5+,12-6+/t33-,34+,35-,41-,42+,44+,45+,46+,47-,49-,51-,52-,53+,54+,55+/m1/s1 |
| SMILES |
COc1cc(/C=C/C(=O)OCC2O[C@@H](O[C@@H]3C(O)[C@@H](O)C(CO)O[C@H]3Oc3c(-c4ccc(O)cc4)oc4cc(O)cc(O)c4c3=O)C(O)C(O)[C@@H]2O[C@@H]2OC(CO)[C@@H](O)C(O)[C@H]2OC(=O)/C=C/c2cc(OC)c(O)c(OC)c2)cc(OC)c1O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Apocynaceae | Thevetia peruviana  | Ref. |
|
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