| Name |
Kaempferol 3-caffeylsophoroside |
| Formula |
C36H36O19 |
| Mw |
772.18507897 |
| CAS RN |
130425-54-6 |
| C_ID |
C00005881
, 
|
| InChIKey |
WWDDIZKMYOSFSR-YSGRFXMTNA-N |
| InChICode |
InChI=1S/C36H36O19/c37-12-22-26(45)29(48)33(53-24(44)8-2-14-1-7-18(41)19(42)9-14)35(51-22)55-34-30(49)27(46)23(13-38)52-36(34)54-32-28(47)25-20(43)10-17(40)11-21(25)50-31(32)15-3-5-16(39)6-4-15/h1-11,22-23,26-27,29-30,33-43,45-46,48-49H,12-13H2/b8-2+/t22-,23-,26-,27-,29+,30+,33-,34-,35+,36+/m1/s1 |
| SMILES |
O=C(/C=C/c1ccc(O)c(O)c1)OC1C(O)[C@H](O)C(CO)O[C@H]1OC1[C@H](Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)OC(CO)[C@@H](O)[C@@H]1O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Solanaceae | Petunia x hybrida | Ref. |
|
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