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 C1(=C[C@@H]2C(=CC[C@@H]3[C@]2(CC[C@]2([C@]3(C[C@H]([C@@H]2[C@](C)(C(=O)/C=C/C(C)(O)C)O)O[C@@H]2OC[C@H]([C@@H]([C@H]2OC(=O)C)O)OC(=O)C)C)C)C)C(C1=O)(C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeDesfontainiaceaeDesfontainia spinosa Ref.
PlantaeRutaceaeEuodia meliaefolia Ref.
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OrganismDesfontainia spinosa
ReferenceSun, et al., Brief Handbook of Natural Active Compounds, Medicinal Science and Technology Press of China, Beijing, (1998)