input word = C00031165

Metabolite InformationStructural formula
Name Rhusemialin C
(-)-Rhusemialin C
Formula C48H54O19
Mw 934.32592955
CAS RN 946852-24-0
C_ID C00031165 ,
InChIKey MKRYDBNUNQEYOE-HRMQZPKJNA-N
InChICode InChI=1S/C48H54O19/c1-58-32-15-24(7-11-30(32)51)9-13-38(53)64-23-37-45(66-39(54)14-10-25-8-12-31(52)33(16-25)59-2)43(56)44(57)48(65-37)67-46-36(62-5)20-26-17-28(21-49)29(22-50)40(41(26)47(46)63-6)27-18-34(60-3)42(55)35(19-27)61-4/h7-16,18-20,28-29,37,40,43-45,48-52,55-57H,17,21-23H2,1-6H3/b13-9+,14-10+/t28-,29-,37+,40+,43-,44+,45+,48-/m0/s1
SMILES c1(c(cc2c(c1OC)[C@@H]([C@H]([C@@H](C2)CO)CO)c1cc(c(c(c1)OC)O)OC)OC)O[C@@H]1O[C@@H]([C@H]([C@H]([C@H]1O)O)OC(=O)/C=C/c1cc(c(cc1)O)OC)COC(=O)/C=C/c1cc(c(cc1)O)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAnacardiaceaeRhus semialata Ref.
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