input word = C00006057

Metabolite InformationStructural formula
Name Sempervirenoside B
Formula C40H50O20
Mw 850.28954404
CAS RN 131984-67-3
C_ID C00006057 ,
InChIKey OQCRMRUPRKFSAM-BOIDXZOKNA-N
InChICode InChI=1S/C40H50O20/c1-15(2)6-11-20-23(56-39-31(50)29(48)27(46)24(13-41)57-39)12-21(43)25-28(47)36(34(58-35(20)25)18-7-9-19(52-5)10-8-18)60-40-32(51)37(33(16(3)54-40)55-17(4)42)59-38-30(49)26(45)22(44)14-53-38/h6-10,12,16,22,24,26-27,29-33,37-41,43-46,48-51H,11,13-14H2,1-5H3/t16-,22-,24+,26+,27+,29-,30-,31+,32-,33-,37+,38+,39+,40-/m0/s1
SMILES COc1ccc(-c2oc3c(CC=C(C)C)c(O[C@@H]4OC(CO)[C@@H](O)[C@H](O)C4O)cc(O)c3c(=O)c2O[C@@H]2OC(C)[C@H](OC(C)=O)C(O[C@@H]3OC[C@@H](O)[C@H](O)C3O)[C@@H]2O)cc1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeBerberidaceaeEpimedium sempervirens Ref.
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OrganismEpimedium sempervirens
ReferenceHarborne, The Handbook of Natural Flavonoids, 1, (1999), 297.Flavonol O-glycosides

Mizuno,J.Nat.Prod.,53,(1990),744