input word = C00039508

Metabolite InformationStructural formula
Name Juncin Z
(+)-Juncin Z
Formula C29H38O13
Mw 594.2312413
CAS RN 912262-71-6
C_ID C00039508 ,
InChIKey SOQFUADBXGVECU-LNALGXTCNA-N
InChICode InChI=1S/C29H38O13/c1-13-9-10-21(39-16(4)31)28(7)22(40-17(5)32)12-20(38-15(3)30)19(27(35)37-8)11-23-29(36,14(2)26(34)42-23)25(24(13)28)41-18(6)33/h11,14,20-25,36H,1,9-10,12H2,2-8H3/b19-11+/t14-,20+,21-,22-,23-,24+,25-,28+,29-/m0/s1
SMILES C=C1CC[C@H](OC(C)=O)[C@]2(C)[C@@H](OC(C)=O)C[C@@H](OC(C)=O)/C(C(=O)OC)=C[C@@H]3OC(=O)[C@H](C)C3(O)[C@@H](OC(C)=O)[C@@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Junceella fragilis Ref.
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OrganismJunceella fragilis
ReferenceLiaw,J.Nat.Prod.,71,(2008),1551