input word = C00011129

Metabolite InformationStructural formula
Name Quercetin 3-O-beta-(6''-O-E-p-coumaroylglucoside)-7-O-beta-glucoside
Formula C36H36O19
Mw 772.18507897
CAS RN 473919-25-4
C_ID C00011129 ,
InChIKey VASHBWYFPVZWGX-QACHLNEFNA-N
InChICode InChI=1S/C36H36O19/c37-12-22-26(43)29(46)31(48)35(53-22)51-17-10-20(41)25-21(11-17)52-33(15-4-7-18(39)19(40)9-15)34(28(25)45)55-36-32(49)30(47)27(44)23(54-36)13-50-24(42)8-3-14-1-5-16(38)6-2-14/h1-11,22-23,26-27,29-32,35-41,43-44,46-49H,12-13H2/b8-3+/t22-,23+,26-,27-,29-,30-,31-,32+,35+,36-/m0/s1
SMILES c1(c2c(cc(c1)O[C@H]1[C@H]([C@H]([C@H]([C@@H](O1)CO)O)O)O)oc(c(c2=O)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)COC(=O)/C=C/c1ccc(cc1)O)O)O)O)c1ccc(c(c1)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeLotus polyphyllos Ref.
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