input word = C00010776

Metabolite InformationStructural formula
Name Sylvestroside III
Formula C27H36O14
Mw 584.21050586
CAS RN 71431-24-8
C_ID C00010776 ,
InChIKey IAXYZHODIUFGKB-LOARGWCSNA-N
InChICode InChI=1S/C27H36O14/c1-4-12-13(5-6-28)15(10-38-26(12)41-27-22(32)21(31)20(30)18(8-29)40-27)24(34)39-17-7-14-16(23(33)36-3)9-37-25(35)19(14)11(17)2/h4,6,9-14,17-22,25-27,29-32,35H,1,5,7-8H2,2-3H3/t11-,12-,13-,14+,17-,18-,19-,20+,21-,22-,25+,26-,27-/m0/s1
SMILES C=C[C@H]1[C@H](O[C@@H]2OC(CO)[C@@H](O)C(O)[C@@H]2O)OC=C(C(=O)O[C@H]2C[C@@H]3C(C(=O)OC)=CO[C@@H](O)[C@@H]3[C@H]2C)[C@H]1CC=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeDipsacaceae/Diervillaceae/Linnaeaceae/ValerianaceaeDipsacus sylvestris Ref.
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OrganismDipsacus sylvestris
ReferenceJensen,Phytochem.,18,(1979),273