input word = C00047564

Metabolite InformationStructural formula
Name Scorzodihydrostilbene E
Formula C46H54O20
Mw 926.32084417
CAS RN 1141495-10-4
C_ID C00047564 ,
InChIKey IJRYZVLNWNHITC-QUECFABUNA-N
InChICode InChI=1S/C46H54O20/c1-19(49)35-23(27(51)9-11-29(35)63-45-43(59)41(57)39(55)33(17-47)65-45)7-5-21-13-25(37(53)31(15-21)61-3)26-14-22(16-32(62-4)38(26)54)6-8-24-28(52)10-12-30(36(24)20(2)50)64-46-44(60)42(58)40(56)34(18-48)66-46/h9-16,33-34,39-48,51-60H,5-8,17-18H2,1-4H3/t33-,34-,39-,40-,41+,42+,43-,44-,45-,46-/m1/s1
SMILES COc1cc(CCc2c(O)ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2C(C)=O)cc(-c2cc(CCc3c(O)ccc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c3C(C)=O)cc(OC)c2O)c1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeScorzonera radiata Ref.
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OrganismScorzonera radiata
ReferenceWang,J.Nat.Prod.,72,(2009),671