input word = C00044833

Metabolite InformationStructural formula
Name Juncin J
(-)-Juncin J
Formula C38H52O16
Mw 764.32553562
CAS RN 524741-51-3
C_ID C00044833 ,
InChIKey DAZQVNSICLLOSD-IQCWIGFCNA-N
InChICode InChI=1S/C38H52O16/c1-18(2)13-28(43)53-30-32(50-23(8)41)36(10)26(49-22(7)40)12-11-25(16-47-21(6)39)15-27-38(46,20(5)35(45)52-27)34(51-24(9)42)31(36)37(17-48-37)33(30)54-29(44)14-19(3)4/h11-12,15,18-20,26-27,30-34,46H,13-14,16-17H2,1-10H3/b12-11+,25-15+/t20-,26-,27-,30+,31+,32-,33+,34-,36+,37-,38+/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(=O)CC(C)C)[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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