input word = C00044834

Metabolite InformationStructural formula
Name Juncin K
(-)-Juncin K
Formula C36H50O14
Mw 706.32005631
CAS RN 524741-52-4
C_ID C00044834 ,
InChIKey LQYPQXKGPDRUES-BSQCHXSANA-N
InChICode InChI=1S/C36H50O14/c1-18(2)12-29(40)48-26-15-27(49-30(41)13-19(3)4)35(17-45-35)31-32(47-23(8)39)36(43)20(5)33(42)50-28(36)14-24(16-44-21(6)37)10-11-25(34(26,31)9)46-22(7)38/h10-11,14,18-20,25-28,31-32,43H,12-13,15-17H2,1-9H3/b11-10+,24-14+/t20-,25-,26-,27+,28-,31+,32-,34-,35+,36+/m0/s1
SMILES C1[C@H]([C@@]2([C@H]3[C@]([C@H]1OC(=O)CC(C)C)([C@H](/C=C/C(=C\[C@H]1[C@]([C@H]3OC(=O)C)(O)[C@@H](C)C(=O)O1)/COC(=O)C)OC(=O)C)C)CO2)OC(=O)CC(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Junceella juncea Ref.
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