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 O(C(C[C@@H]1C(=CO[C@H]([C@@H]1C=C)O[C@H]1[C@H](O)[C@@H]([C@@H]2[C@H](O1)CO[C@H](O2)C[C@H]1[C@@H](C=C)[C@@H](OC=C1C(=O)OC)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)O)C(=O)OC)OC)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCaprifoliaceae/Diervillaceae/Dipsacaceae/Linnaeaceae/ValerianaceaeLonicera korolkovii Ref.
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