input word = C00045399

Metabolite InformationStructural formula
Name Saprosmoside E
(-)-Saprosmoside E
Formula C36H44O22S2
Mw 892.17656455
CAS RN 438239-75-9
C_ID C00045399 ,
InChIKey YUOFAUXZZZPWPA-ILCRAHQUNA-N
InChICode InChI=1S/C36H44O22S2/c1-59-35(47)51-7-11-3-15(39)21-13(9-49-31(19(11)21)57-33-27(44)25(42)23(40)17(5-37)54-33)30(46)56-28-26(43)24(41)18(6-38)55-34(28)58-32-20-12(8-52-36(48)60-2)4-16-22(20)14(10-50-32)29(45)53-16/h3-4,9-10,15-28,31-34,37-44H,5-8H2,1-2H3/t15-,16-,17-,18-,19-,20-,21+,22+,23-,24-,25+,26+,27-,28-,31+,32+,33+,34+/m1/s1
SMILES CSC(=O)OCC1=C[C@@H]2OC(=O)C3=CO[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4OC(=O)C4=CO[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@@H]5C(COC(=O)SC)=C[C@H](O)[C@H]45)[C@H]1[C@@H]32
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRubiaceaeSaprosma scortechinii Ref.
zoom in