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 C(Cc1c(ccc(c1C(=O)C)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)O)c1cc(c(c(c1)c1c(c(cc(CCc2c(ccc(c2C(=O)C)O[C@@H]2O[C@@H]([C@H]([C@@H]([C@H]2O)O)O)CO)O)c1)OC)O)O)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeScorzonera radiata Ref.
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