input word = C00044835

Metabolite InformationStructural formula
Name Juncin L
(-)-Juncin L
Formula C36H51ClO14
Mw 742.29673405
CAS RN 524741-53-5
C_ID C00044835 ,
InChIKey BKJLWFMCJRNXAB-MCFVBKFLNA-N
InChICode InChI=1S/C36H51ClO14/c1-16(2)13-24(41)49-27-30(47-21(8)39)34(10)23(46-20(7)38)12-11-18(5)26(37)29-36(44,19(6)33(43)51-29)32(48-22(9)40)28(34)35(15-45-35)31(27)50-25(42)14-17(3)4/h16-17,19,23,26-32,44H,5,11-15H2,1-4,6-10H3/t19-,23-,26-,27+,28+,29-,30-,31+,32-,34+,35-,36+/m0/s1
SMILES [C@@H]1([C@H]([C@@]2([C@H]3[C@]([C@H]1OC(=O)C)([C@H](CCC(=C)[C@@H]([C@H]1[C@]([C@H]3OC(=O)C)(O)[C@@H](C)C(=O)O1)Cl)OC(=O)C)C)CO2)OC(=O)CC(C)C)OC(=O)CC(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Junceella juncea Ref.
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