input word = C00005449

Metabolite InformationStructural formula
Name Quercetin 3-rhamnosyl-(1->2)-rhamnosyl-(1->6)-glucoside
Formula C33H40O20
Mw 756.21129372
CAS RN 32453-37-5
C_ID C00005449 ,
InChIKey ZKLZXRYXKRWGQP-YJJJPXIENA-N
InChICode InChI=1S/C33H40O20/c1-9-19(38)23(42)26(45)31(48-9)53-30-25(44)20(39)10(2)49-33(30)47-8-17-21(40)24(43)27(46)32(51-17)52-29-22(41)18-15(37)6-12(34)7-16(18)50-28(29)11-3-4-13(35)14(36)5-11/h3-7,9-10,17,19-21,23-27,30-40,42-46H,8H2,1-2H3/t9-,10+,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)C)O)O)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)C)O)O)O)O)O)O)c1ccc(c(c1)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCannabaceaeHumulus lupulus Ref.
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OrganismHumulus lupulus
ReferenceHarborne, The Handbook of Natural Flavonoids, 1, (1999), 297.Flavonol O-glycosides

Vancraenenbroeck,Bull.Liaison-Groupe Polyphenols.,8,(1978),329