input word = C00044836

Metabolite InformationStructural formula
Name Juncin M
(+)-Juncin M
Formula C34H49ClO12
Mw 684.29125474
CAS RN 524741-54-6
C_ID C00044836 ,
InChIKey RCSMFZUGLMMPGG-SDGBPKEQNA-N
InChICode InChI=1S/C34H49ClO12/c1-16(2)12-25(38)45-23-14-24(46-26(39)13-17(3)4)33(15-42-33)28-30(44-21(8)37)34(41)19(6)31(40)47-29(34)27(35)18(5)10-11-22(32(23,28)9)43-20(7)36/h16-17,19,22-24,27-30,41H,5,10-15H2,1-4,6-9H3/t19-,22-,23-,24+,27+,28+,29-,30-,32-,33+,34+/m0/s1
SMILES C1[C@H]([C@@]2([C@H]3[C@]([C@H]1OC(=O)CC(C)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
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Junceella juncea Ref.
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