input word = C00005443

Metabolite InformationStructural formula
Name Quercetin 3-rhamnosyl-(1->2)[glucosyl-(1->6)-galactoside]
Quercetin 3-(6'''-rhamnosylgentiobioside)
3-[(O-6-Deoxy-alpha-L-mannopyranosyl-(1->2)-O-[beta-D-glucopyranosyl-(1->6)]-beta-D-galactopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one
Formula C33H40O21
Mw 772.20620834
CAS RN 123493-51-6
C_ID C00005443 ,
InChIKey NRTALHZHXXNSOY-CPJPUWIBNA-N
InChICode InChI=1S/C33H40O21/c1-9-19(39)23(43)27(47)32(49-9)54-30-25(45)21(41)17(8-48-31-26(46)24(44)20(40)16(7-34)51-31)52-33(30)53-29-22(42)18-14(38)5-11(35)6-15(18)50-28(29)10-2-3-12(36)13(37)4-10/h2-6,9,16-17,19-21,23-27,30-41,43-47H,7-8H2,1H3/t9-,16+,17+,19+,20-,21+,23+,24+,25+,26-,27+,30+,31-,32+,33+/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[C@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)CO)O)O)O)O)O)O[C@@H]1O[C@@H]([C@@H]([C@@H]([C@@H]1O)O)O)C)c1ccc(c(c1)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCapparaceaeCapparis spinosa Ref.
PlantaeSolanaceaeSolanum nigrum Ref.
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