input word = C00005992

Metabolite InformationStructural formula
Name Quercetin 3-(2'''-p-coumarylsambubioside)-7-glucoside
Formula C41H44O23
Mw 904.22733772
CAS RN 162556-37-8
C_ID C00005992 ,
InChIKey VZEXGWGJXZJLPY-SUBLTAIXNA-N
InChICode InChI=1S/C41H44O23/c42-12-24-29(51)32(54)34(56)39(60-24)58-18-10-21(47)27-23(11-18)59-35(16-4-7-19(45)20(46)9-16)36(31(27)53)63-41-38(33(55)30(52)25(13-43)61-41)64-40-37(28(50)22(48)14-57-40)62-26(49)8-3-15-1-5-17(44)6-2-15/h1-11,22,24-25,28-30,32-34,37-48,50-52,54-56H,12-14H2/b8-3+/t22-,24+,25+,28-,29-,30-,32-,33+,34+,37+,38-,39-,40-,41+/m1/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/c1ccc(cc1)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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