input word = C00013939

Metabolite InformationStructural formula
Name Quercetin 5,3',4'-trimethyl ether 3-galactosyl-(1->2)-rhamnoside-7-rhamnoside
Formula C36H46O20
Mw 798.25824391
CAS RN
C_ID C00013939 ,
InChIKey SPHYILLAWJQCEK-NKUWFZAJNA-N
InChICode InChI=1S/C36H46O20/c1-12-22(38)26(42)29(45)34(50-12)52-15-9-18(49-5)21-19(10-15)53-31(14-6-7-16(47-3)17(8-14)48-4)32(25(21)41)55-36-33(28(44)23(39)13(2)51-36)56-35-30(46)27(43)24(40)20(11-37)54-35/h6-10,12-13,20,22-24,26-30,33-40,42-46H,11H2,1-5H3/t12-,13+,20+,22+,23+,24-,26-,27+,28-,29+,30-,33+,34+,35+,36+/m1/s1
SMILES c1c(cc(c(c1)OC)OC)c1oc2c(c(=O)c1O[C@H]1[C@H]([C@@H]([C@H]([C@@H](O1)C)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)CO)O)O)O)c(cc(c2)O[C@H]1[C@H]([C@@H]([C@H]([C@H](O1)C)O)O)O)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeAlhagi persarum Ref.
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