input word = C00006058

Metabolite InformationStructural formula
Name Sempervirenoside A
Formula C42H52O21
Mw 892.30010873
CAS RN 124862-71-1
C_ID C00006058 ,
InChIKey NKJJMKATLZNGPP-KBUPGTNBNA-N
InChICode InChI=1S/C42H52O21/c1-16(2)7-12-22-25(59-41-31(51)30(50)28(48)26(14-43)60-41)13-23(46)27-29(49)38(35(61-36(22)27)20-8-10-21(54-6)11-9-20)63-42-33(53)39(34(17(3)56-42)57-18(4)44)62-40-32(52)37(58-19(5)45)24(47)15-55-40/h7-11,13,17,24,26,28,30-34,37,39-43,46-48,50-53H,12,14-15H2,1-6H3/t17-,24+,26-,28+,30-,31+,32-,33-,34-,37+,39+,40-,41+,42-/m0/s1
SMILES c1(cc(c2c(c1CC=C(C)C)oc(c(c2=O)O[C@@H]1O[C@H]([C@@H]([C@@H]([C@@H]1O)O[C@H]1[C@H]([C@@H]([C@@H](CO1)O)OC(=O)C)O)OC(=O)C)C)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 sempervirens Ref.
zoom in