input word = C00005829

Metabolite InformationStructural formula
Name Hexandraside F
Epimedin A1
Formula C39H50O20
Mw 838.28954404
CAS RN 140147-77-9
C_ID C00005829 ,
InChIKey NLVBYGTTYRFJKH-ZUVZQRSHNA-N
InChICode InChI=1S/C39H50O20/c1-14(2)5-10-18-20(54-37-30(49)28(47)25(44)21(12-40)55-37)11-19(42)23-27(46)36(33(57-34(18)23)16-6-8-17(52-4)9-7-16)59-39-32(51)35(24(43)15(3)53-39)58-38-31(50)29(48)26(45)22(13-41)56-38/h5-9,11,15,21-22,24-26,28-32,35,37-45,47-51H,10,12-13H2,1-4H3/t15-,21+,22-,24+,25-,26-,28+,29-,30+,31-,32+,35+,37-,38+,39+/m1/s1
SMILES c1(cc(c2c(c1CC=C(C)C)oc(c(c2=O)O[C@H]1[C@H]([C@H]([C@H]([C@H](O1)C)O)O[C@H]1[C@@H]([C@@H]([C@@H]([C@H](O1)CO)O)O)O)O)c1ccc(cc1)OC)O)O[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)CO)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeBerberidaceaeEpimedium sagittatum Ref.
PlantaeBerberidaceaeVancouveria hexandra Ref.
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OrganismEpimedium sagittatum
ReferenceWang,Phytochem.,68,(2007),2455