input word = C00005444

Metabolite InformationStructural formula
Name Quercetin 3-(2Gal-rhamnosyl-robinobioside)
Formula C33H40O20
Mw 756.21129372
CAS RN 124151-38-8
C_ID C00005444 ,
InChIKey HKNBJSRIYRDSLB-GHRXHERNNA-N
InChICode InChI=1S/C33H40O20/c1-9-19(38)23(42)26(45)31(48-9)47-8-17-21(40)25(44)30(53-32-27(46)24(43)20(39)10(2)49-32)33(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-/m0/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)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
PlantaeApocynaceaeAsclepias curassavica Ref.
PlantaeChenopodiaceaeChenopodium pallidicaule Ref.
PlantaeCornaceae/Aucubaceae/Garryaceae/HelwingiaceaeAlangium platanifolium Ref.
PlantaeMyrsinaceaeLysimachia fortunei Ref.
PlantaeMyrsinaceaeLysimachia nummularia Ref.
PlantaePrimulaceaePrimula officinalis Ref.
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OrganismLysimachia nummularia
ReferenceHarborne, The Handbook of Natural Flavonoids, 1, (1999), 297.Flavonol O-glycosides

Karl,Planta Med.,41,(1981),96

Yasukawa,Phytochem.,28,(1989),2215