input word = C00034277

Metabolite InformationStructural formula
Name Spinoside A
(-)-Spinoside A
Formula C39H56O12
Mw 716.37717725
CAS RN 119626-74-3
C_ID C00034277 ,
InChIKey UODJOGKPOAZZHT-SUVRKKAKNA-N
InChICode InChI=1S/C39H56O12/c1-20(40)49-26-19-48-33(30(29(26)44)50-21(2)41)51-25-18-38(9)27-12-11-22-23(17-24(42)32(45)35(22,5)6)36(27,7)15-16-37(38,8)31(25)39(10,47)28(43)13-14-34(3,4)46/h11,13-14,17,23,25-27,29-31,33,42,44,46-47H,12,15-16,18-19H2,1-10H3/b14-13+/t23-,25-,26-,27-,29+,30-,31+,33+,36+,37-,38+,39+/m1/s1
SMILES CC(=O)O[C@H]1[C@H](O[C@@H]2C[C@@]3(C)[C@@H]4CC=C5[C@@H](C=C(O)C(=O)C5(C)C)[C@]4(C)CC[C@]3(C)[C@H]2[C@@](C)(O)C(=O)/C=C/C(C)(C)O)OC[C@@H](OC(C)=O)[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeDesfontainiaceaeDesfontainia spinosa Ref.
PlantaeRutaceaeEuodia meliaefolia Ref.
zoom in