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=C1CC[C@H](OC(C)=O)[C@@]2(C)[C@@H](OC(C)=O)[C@@H](OC(=O)CC(C)C)[C@@H](OC(=O)CC(C)C)[C@]3(CO3)[C@@H]2[C@H](OC(C)=O)C2(O)[C@@H](C)C(=O)O[C@H]2[C@H]1Cl
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Junceella juncea Ref.
zoom in