input word = C00010489

Metabolite InformationStructural formula
Name Radiatoside
Formula C31H44O19
Mw 720.24767923
CAS RN 104363-10-2
C_ID C00010489 ,
InChIKey YCBWBUAFHXKISV-RYMAEHLLNA-N
InChICode InChI=1S/C31H44O19/c1-30(42)4-2-10-12(8-44-26(15(10)30)48-28-21(39)19(37)17(35)13(6-32)45-28)25(41)47-23-11-3-5-43-27(16(11)31(9-34)24(23)50-31)49-29-22(40)20(38)18(36)14(7-33)46-29/h3,5,8,10-11,13-24,26-29,32-40,42H,2,4,6-7,9H2,1H3/t10-,11+,13+,14+,15-,16-,17-,18-,19+,20-,21+,22+,23+,24+,26+,27+,28+,29+,30+,31-/m1/s1
SMILES [C@@H]12[C@H]([C@@H](OC=C1)O[C@@H]1O[C@H]([C@H]([C@H]([C@@H]1O)O)O)CO)[C@@]1([C@H]([C@H]2OC(=O)C2=CO[C@H]([C@H]3[C@@H]2CC[C@]3(C)O)O[C@@H]2O[C@H]([C@H]([C@@H]([C@@H]2O)O)O)CO)O1)CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeBignoniaceaeArgylia radiata Ref.
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