input word = C00005813

Metabolite InformationStructural formula
Name Epimedoside E
Formula C37H46O19
Mw 794.26332929
CAS RN 39049-19-9
C_ID C00005813 ,
InChIKey XDBZJWHRPCMWOO-ZKYFJHFYNA-N
InChICode InChI=1S/C37H46O19/c1-13(2)4-9-17-20(52-36-30(49)27(46)25(44)21(11-38)53-36)10-18(40)22-26(45)33(31(54-32(17)22)15-5-7-16(39)8-6-15)55-37-34(28(47)23(42)14(3)51-37)56-35-29(48)24(43)19(41)12-50-35/h4-8,10,14,19,21,23-25,27-30,34-44,46-49H,9,11-12H2,1-3H3/t14-,19-,21+,23-,24-,25+,27-,28-,29-,30+,34+,35-,36+,37-/m0/s1
SMILES CC(C)=CCc1c(O[C@@H]2OC(CO)[C@@H](O)[C@H](O)C2O)cc(O)c2c(=O)c(O[C@@H]3OC(C)[C@H](O)[C@H](O)C3O[C@@H]3OC[C@@H](O)C(O)C3O)c(-c3ccc(O)cc3)oc12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeBerberidaceaeEpimedium diphyllum Ref.
PlantaeBerberidaceaeEpimedium grandiflorum Ref.
PlantaeBerberidaceaeEpimedium sagittatum Ref.
PlantaeBerberidaceaeEpimedium wushanense Ref.
PlantaeBerberidaceaeVancouveria hexandra Ref.
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