input word = C00032422

Metabolite InformationStructural formula
Name Trilocularoside A
(+)-Trilocularoside A
Formula C36H56O13
Mw 696.37209188
CAS RN 640279-54-5
C_ID C00032422 ,
InChIKey LVBOKTOBPDULLX-JIRVPSNFNA-N
InChICode InChI=1S/C36H56O13/c1-31-14-19(39)27(43)34(4,29(44)45)22(31)9-10-33(3)21(31)7-6-18-26-35(5,47)17(15-37)8-11-36(26,13-12-32(18,33)2)30(46)49-28-25(42)24(41)23(40)20(16-38)48-28/h6,17,19-28,37-43,47H,7-16H2,1-5H3,(H,44,45)/t17-,19+,20+,21+,22+,23+,24-,25+,26+,27-,28-,31+,32+,33+,34+,35+,36-/m0/s1
SMILES C[C@@]1(O)[C@H](CO)CC[C@]2(C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@](C)(C(=O)O)[C@@H]5CC[C@]43C)[C@@H]21
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMalvaceaeCorchorus trilocularis L. Ref.
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OrganismCorchorus trilocularis L.
ReferenceAhmed,Chem.Pharm.Bull.,52,(2003),851