input word = C00044832

Metabolite InformationStructural formula
Name Juncin I
Formula C35H46O16
Mw 722.27858542
CAS RN 524741-50-2
C_ID C00044832 ,
InChIKey FSBIXPFPBXUGFK-POPIGUFPNA-N
InChICode InChI=1S/C35H46O16/c1-16(2)12-26(41)51-27-29(47-20(6)38)33(9)24(46-19(5)37)11-10-23(14-44-18(4)36)13-25-35(43,17(3)32(42)50-25)31(49-22(8)40)28(33)34(15-45-34)30(27)48-21(7)39/h10-11,13,16-17,24-25,27-31,43H,12,14-15H2,1-9H3/b11-10+,23-13+/t17-,24-,25-,27+,28+,29-,30+,31-,33+,34-,35-/m0/s1
SMILES CC(=O)OCC1=C/[C@@H]2OC(=O)[C@H](C)C2(O)[C@@H](OC(C)=O)[C@H]2[C@@]3(CO3)[C@H](OC(C)=O)[C@H](OC(=O)CC(C)C)[C@H](OC(C)=O)[C@]2(C)[C@@H](OC(C)=O)C=C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Junceella juncea Ref.
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OrganismJunceella juncea
ReferenceAnjaneyulu,J.Nat.Prod.,66,(2003),507