input word = C00013846

Metabolite InformationStructural formula
Name Quercetin 3-rhamnosyl-(1->2)-glucosyl-(1->6)-galactoside
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 420113-07-1
C_ID C00013846 ,
InChIKey HWJGUESNFKJZSW-LSLQUWHZNA-N
InChICode InChI=1S/C33H40O21/c1-9-19(39)23(43)26(46)31(49-9)54-30-25(45)20(40)16(7-34)51-33(30)48-8-17-21(41)24(44)27(47)32(52-17)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 c1c(cc(c(c1)O)O)c1oc2c(c(=O)c1O[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[C@H]1[C@H]([C@H]([C@H]([C@H](O1)C)O)O)O)O)O)O)c(cc(c2)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeCassia marginata Ref.
zoom in