input word = C00046066

Metabolite InformationStructural formula
Name Korolkoside
(-)-Korolkoside
Formula C36H52O20
Mw 804.3051941
CAS RN 359868-39-6
C_ID C00046066 ,
InChIKey IZJKNGKMGFLJCM-WEUJMXKRNA-N
InChICode InChI=1S/C36H52O20/c1-7-15-17(9-23(45-3)46-4)19(31(43)47-5)12-50-33(15)56-36-29(42)27(40)30-22(53-36)14-49-24(54-30)10-18-16(8-2)34(51-13-20(18)32(44)48-6)55-35-28(41)26(39)25(38)21(11-37)52-35/h7-8,12-13,15-18,21-30,33-42H,1-2,9-11,14H2,3-6H3/t15-,16-,17+,18+,21-,22-,24-,25-,26+,27+,28-,29-,30+,33+,34+,35+,36+/m1/s1
SMILES C=CC1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@H]1C[C@@H]1OC[C@H]2O[C@@H](O[C@@H]3OC=C(C(=O)OC)[C@@H](CC(OC)OC)[C@H]3C=C)[C@H](O)[C@@H](O)[C@@H]2O1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
Plantae--Lonicera korolkovii Ref.
zoom in