input word = C00005731

Metabolite InformationStructural formula
Name Myricetin 3-glucuronide
Myricetin 3-O-beta-D-glucuronide
Formula C21H18O14
Mw 494.06965529
CAS RN 77363-65-6
C_ID C00005731 ,
InChIKey MBWOCQLTCWTIJE-NTEJZTTHNA-N
InChICode InChI=1S/C21H18O14/c22-6-3-7(23)11-10(4-6)33-17(5-1-8(24)12(26)9(25)2-5)18(13(11)27)34-21-16(30)14(28)15(29)19(35-21)20(31)32/h1-4,14-16,19,21-26,28-30H,(H,31,32)/t14-,15+,16-,19+,21-/m1/s1
SMILES c1(cc(c2c(c1)oc(c(c2=O)O[C@H]1[C@@H]([C@@H]([C@@H]([C@H](O1)C(=O)O)O)O)O)c1cc(c(c(c1)O)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeBetulaceaeBetula pendula Ref.
PlantaeBetulaceaeBetula pubescens Ref.
PlantaeEricaceaeRichea angustifolia Ref.
PlantaeEricaceaeRichea scoparia Ref.
PlantaeLythraceaeDiplusodon helianthemifolius Ref.
PlantaeMyrtaceaeEucalyptus occidentalis Ref.
PlantaeMyrtaceaeEugenia jambolana Ref.
PlantaeOnagraceaeOenothera cheiranthifolia Ref.
PlantaePolemoniaceaeLinanthus spp. Ref.
PlantaePolygonaceaeEriogonum nudum Ref.
PlantaeRosaceaePotentilla anserina Ref.
PlantaeVitaceaeVitis spp. Ref.
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OrganismRichea angustifolia
ReferenceHarborne, The Handbook of Natural Flavonoids, 1, (1999), 297.Flavonol O-glycosides

Abd-Alla,Phytochem.,19,(1980),2629

Smith,Biochem.Syst.Ecol.,10,(1982),37