input word = C00005997

Metabolite InformationStructural formula
Name Quercetin 3-[2'''-(E)-feruloylsophoroside]-7-glucoside
Formula C43H48O25
Mw 964.24846709
CAS RN 151649-66-0
C_ID C00005997 ,
InChIKey CBQWFAOISQNPIK-JPYXMINNNA-N
InChICode InChI=1S/C43H48O25/c1-60-22-8-15(2-5-19(22)48)3-7-27(51)66-39-34(57)30(53)25(13-45)64-42(39)68-40-35(58)31(54)26(14-46)65-43(40)67-38-32(55)28-21(50)10-17(61-41-36(59)33(56)29(52)24(12-44)63-41)11-23(28)62-37(38)16-4-6-18(47)20(49)9-16/h2-11,24-26,29-31,33-36,39-50,52-54,56-59H,12-14H2,1H3/b7-3+/t24-,25+,26-,29+,30+,31+,33-,34-,35-,36+,39+,40+,41+,42-,43-/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]([C@H](O1)CO)O)O)OC(=O)/C=C/c1cc(c(cc1)O)OC)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
PlantaeCruciferaeBrassica oleracea Ref.
PlantaeCruciferaeBrassica rapa Ref.
PlantaeRanunculaceaeRanunculus biternatus Ref.
PlantaeRanunculaceaeRanunculus moseleyi Ref.
PlantaeRanunculaceaeRanunculus pseudotrullifolius Ref.
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