input word = C00006698

Metabolite InformationStructural formula
Name Myrtillin
Delphinidin 3-O-beta-D-glucopyranoside
Formula C21H21O12.Cl
Mw 500.07215385
CAS RN 6906-38-3
C_ID C00006698 ,
InChIKey XENHPQQLDPAYIJ-ABIWRIGZNA-O
InChICode InChI=1S/C21H20O12/c22-6-15-17(28)18(29)19(30)21(33-15)32-14-5-9-10(24)3-8(23)4-13(9)31-20(14)7-1-11(25)16(27)12(26)2-7/h1-5,15,17-19,21-22,28-30H,6H2,(H4-,23,24,25,26,27)/p+1/t15-,17-,18+,19-,21-/m1/s1
SMILES c1(cc(c2c(c1)[o+]c(c(c2)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)c1cc(c(c(c1)O)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAlliaceaeAllium cepa Ref.
PlantaeAnacardiaceaeMangifera indica Ref.
PlantaeBalsaminaceaeImpatiens balsamina Ref.
PlantaeBoraginaceaeLobostemon spp. Ref.
PlantaeCommelinaceaeCommelina communis Ref.
PlantaeEricaceaeVaccinium myrtillus L. Ref.
PlantaeEricaceaeVaccinium padifolium Ref.
PlantaeEricaceaeVaccinium spp. Ref.
PlantaeFabaceaeClitoria ternatea Ref.
PlantaeFabaceaeGlycine max Ref.
PlantaeFabaceaeMucuna sempervirens Ref.
PlantaeFabaceaePhaseolus coccineus Ref.
PlantaeFabaceaePhaseolus vulgaris Ref.
PlantaeFabaceaeVigna spp. Ref.
PlantaeGeraniaceaeGeranium sylvaticum Ref.
PlantaeGrossulariaceaeRibes nigrum Ref.
PlantaeHyacinthaceaeMuscari armeniacum Ref.
PlantaeHydrangeaceaeHydrangea macrophylla Ref.
PlantaeLythraceaePunica granatum Ref.
PlantaeMoraceaeMorus alba Ref.
PlantaeMuntingiaceaeMuntingia calabura Ref.
PlantaeMyrsinaceaeArdisia humilis Ref.
PlantaeMyrtaceaeEugenia umbelliflora Ref.
PlantaeMyrtaceaeMetrosideros spp. Ref.
PlantaeMyrtaceaeMyrtus communis Ref.
PlantaePassifloraceaePassiflora suberosa Ref.
PlantaePinaceaeAbies spp. Ref.
PlantaePinaceaePicea spp. Ref.
PlantaePinaceaePinus banksiana Ref.
PlantaePinaceaePseudotsuga spp. Ref.
PlantaePinaceaeTsuga spp. Ref.
PlantaePlumbaginaceaeLimonium spp. Ref.
PlantaePlumbaginaceaePlumbago spp. Ref.
PlantaePoaceaeAlopecurus spp. Ref.
PlantaePoaceaeAnthoxanthum spp. Ref.
PlantaePoaceaeAvenula spp. Ref.
PlantaePoaceaeBothriochloa spp. Ref.
PlantaePoaceaeDactylis spp. Ref.
PlantaePoaceaeDeschampsia spp. Ref.
PlantaePoaceaeElymus spp. Ref.
PlantaePoaceaeFestuca spp. Ref.
PlantaePoaceaeHordeum spp. Ref.
PlantaePoaceaeMiscanthus spp. Ref.
PlantaePoaceaeMolinia spp. Ref.
PlantaePoaceaeOryza spp. Ref.
PlantaePoaceaePhalaris spp. Ref.
PlantaePoaceaePhleum spp. Ref.
PlantaePoaceaePoa spp. Ref.
PlantaePoaceaeSinarundinaria spp. Ref.
PlantaePodocarpaceaePodocarpus spp. Ref.
PlantaePolygonaceaePolygonum spp. Ref.
PlantaeSalicaceaeSalix spp. Ref.
PlantaeSolanaceaeCapsicum annuum Ref.
PlantaeTernstroemiaceaeVisnea mocanera Ref.
PlantaeVerbenaceaeVerbena x hybrida Ref.
PlantaeVitaceaeVitis vinifera Ref.
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OrganismImpatiens balsamina
ReferenceHarborne, The Handbook of Natural Flavonoids, 2, (1999), 1,Anthocyanins

Karrer,Helv.Chim.Acta,16,(1933),292

Reynolds,J.Chem.Soc.,(1934),1039