input word = C00005993

Metabolite InformationStructural formula
Name Quercetin 3-(2'''-caffeylsambubioside)-7-glucoside
Formula C41H44O24
Mw 920.22225234
CAS RN 162556-34-5
C_ID C00005993 ,
InChIKey OFQWLDJQLTUOPM-HWJBBKEFNA-N
InChICode InChI=1S/C41H44O24/c42-11-24-29(52)32(55)34(57)39(61-24)59-16-9-21(48)27-23(10-16)60-35(15-3-5-18(45)20(47)8-15)36(31(27)54)64-41-38(33(56)30(53)25(12-43)62-41)65-40-37(28(51)22(49)13-58-40)63-26(50)6-2-14-1-4-17(44)19(46)7-14/h1-10,22,24-25,28-30,32-34,37-49,51-53,55-57H,11-13H2/b6-2+/t22-,24-,25-,28-,29+,30+,32-,33-,34+,37+,38+,39+,40+,41-/m0/s1
SMILES c1(cc(c2c(c1)oc(c(c2=O)O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)CO)O)O)O[C@@H]1[C@@H]([C@H]([C@H](CO1)O)O)OC(=O)/C=C/c1cc(c(cc1)O)O)c1ccc(c(c1)O)O)O)O[C@@H]1O[C@H]([C@H]([C@@H]([C@H]1O)O)O)CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeRanunculus biternatus Ref.
PlantaeRanunculaceaeRanunculus moseleyi Ref.
PlantaeRanunculaceaeRanunculus pseudotrullifolius Ref.
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