input word = C00046570

Metabolite InformationStructural formula
Name 2',6'-Diacetyl-3,6-diferuloylsucrose
Formula C36H42O19
Mw 778.23202916
CAS RN 288620-87-1
C_ID C00046570 ,
InChIKey SRWBBSNPERFORL-VVLKZOEFNA-N
InChICode InChI=1S/C36H42O19/c1-18(38)49-15-26-30(44)32(46)33(51-19(2)39)35(52-26)55-36(17-37)34(53-29(43)12-8-21-6-10-23(41)25(14-21)48-4)31(45)27(54-36)16-50-28(42)11-7-20-5-9-22(40)24(13-20)47-3/h5-14,26-27,30-35,37,40-41,44-46H,15-17H2,1-4H3/b11-7+,12-8+/t26-,27-,30+,31-,32+,33-,34+,35-,36+/m1/s1
SMILES COc1cc(/C=C/C(=O)OC[C@H]2O[C@@](CO)(O[C@H]3O[C@H](COC(C)=O)[C@@H](O)C(O)[C@H]3OC(C)=O)[C@@H](OC(=O)/C=C/c3ccc(O)c(OC)c3)[C@@H]2O)ccc1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePolygonaceaePolygonum perfoliatum Ref.
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