input word = C00005376

Metabolite InformationStructural formula
Name Miquelianin
Quercetin 3-O-beta-D-glucuronide
Quercetin 3-O-glucuronide
Quercetin 3-O-beta-D-glucuronopyranoside
Formula C21H18O13
Mw 478.07474066
CAS RN 22688-79-5
C_ID C00005376 ,
InChIKey DUBCCGAQYVUYEU-NTEJZTTHNA-N
InChICode InChI=1S/C21H18O13/c22-7-4-10(25)12-11(5-7)32-17(6-1-2-8(23)9(24)3-6)18(13(12)26)33-21-16(29)14(27)15(28)19(34-21)20(30)31/h1-5,14-16,19,21-25,27-29H,(H,30,31)/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)c1ccc(c(c1)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApiaceaeAnethum sowa Ref.
PlantaeApiaceaeFoeniculum vulgare Ref.
PlantaeApiaceaeOrlaya spp. Lasthenia spp. Ref.
PlantaeAsteraceaeArnica chamissonis Ref.
PlantaeAsteraceaeChamaemelum nobile Ref.
PlantaeAsteraceaeGutierrezia wrightii Ref.
PlantaeAsteraceaeStephanodoria tomentella Ref.
PlantaeCampanulaceae/LobeliaceaeCampanula glomerata L. Ref.
PlantaeChloranthaceaeSarcandra glabra Ref.
PlantaeEricaceaeGaultheria miqueliana Ref.
PlantaeEuphorbiaceaeEuphorbia spp. Ref.
PlantaeFabaceaePhaseolus vulgaris Ref.
PlantaeGeraniaceaeGeranium dissectum Ref.
PlantaeGeraniaceaeMonsonia spp. Ref.
PlantaeHypericaceaeHypericum perforatum Ref.
PlantaeLabiataeSalvia blepharophylla Ref.
PlantaeLauraceaeBeilschmiedia miersii Ref.
PlantaeMalvaceaeTheobroma grandiflorum Ref.
PlantaeMyrtaceaePsidium guaijava Ref.
PlantaeOnagraceaeFuchsia fulgens Ref.
PlantaePhilydraceaePhilydrum lanuginosum Ref.
PlantaePolygonaceaeEriogonum nudum Ref.
PlantaePolygonaceaePolygonum hydropiper L. Ref.
PlantaePolygonaceaePolygonum perfoliatum Ref.
PlantaePolygonaceaePolygonum salicifolium Ref.
PlantaePolygonaceaePolygonum viviparum Ref.
PlantaePteridaceaeAdiantum spp. Ref.
PlantaeRosaceaeRosa luciae Ref.
PlantaeRosaceaeRosa multiflora Ref.
PlantaeSalicaceaePopulus grandidentata Ref.
PlantaeZingiberaceaeAlpinia elatior Ref.
PlantaeZingiberaceaeCautleya spicata Ref.
PlantaeZingiberaceaeHedychium thyrsiforme Ref.
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