input word = C00006722

Metabolite InformationStructural formula
Name Petunidin 3-glucoside
Petunidin 3-O-beta-D-glucopyranoside
Petunidin-3-O-glucoside
Formula C22H23O12.Cl
Mw 514.08780391
CAS RN 6988-81-4
C_ID C00006722 ,
InChIKey CCQDWIRWKWIUKK-ARDHMINRNA-O
InChICode InChI=1S/C22H22O12/c1-31-14-3-8(2-12(26)17(14)27)21-15(6-10-11(25)4-9(24)5-13(10)32-21)33-22-20(30)19(29)18(28)16(7-23)34-22/h2-6,16,18-20,22-23,28-30H,7H2,1H3,(H3-,24,25,26,27)/p+1/t16-,18-,19+,20-,22-/m1/s1
SMILES COc1cc(-c2[o+]c3cc(O)cc(O)c3cc2O[C@@H]2OC(CO)[C@@H](O)C(O)C2O)cc(O)c1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAlliaceaeAllium cepa Ref.
PlantaeAnacardiaceaeCotinus coggygria Ref.
PlantaeAnacardiaceaeMangifera indica Ref.
PlantaeApocynaceaeCatharanthus roseus Ref.
PlantaeBerberidaceaeBerberis buxifolia Ref.
PlantaeBerberidaceaeBerberis fortunei Ref.
PlantaeEricaceaeGaylussacia spp. Ref.
PlantaeEricaceaeVaccinium myrtillus L. Ref.
PlantaeEricaceaeVaccinium padifolium Ref.
PlantaeEricaceaeVaccinium spp. Ref.
PlantaeFabaceaeAstragalus sinicus Ref.
PlantaeFabaceaeCercis chinensis Ref.
PlantaeFabaceaeClitoria ternatea Ref.
PlantaeFabaceaeGlycine max Ref.
PlantaeFabaceaeLespedeza penduliflora Ref.
PlantaeFabaceaePhaseolus vulgaris Ref.
PlantaeFabaceaeVigna subterranea Ref.
PlantaeFouquieriaceaFouquieria spp. Ref.
PlantaeHyacinthaceaeMuscari armeniacum Ref.
PlantaeLythraceaeLagerstroemia indica Ref.
PlantaeMyrtaceaeEugenia umbelliflora Ref.
PlantaeMyrtaceaeMetrosideros spp. Ref.
PlantaeMyrtaceaeMyrtus communis Ref.
PlantaeOrchidaceaeBroughtonia spp. Ref.
PlantaePassifloraceaePassiflora suberosa Ref.
PlantaePinaceaeAbies spp. Ref.
PlantaePinaceaePicea spp. Ref.
PlantaePinaceaePinus banksiana Ref.
PlantaePinaceaePseudotsuga spp. Ref.
PlantaePinaceaeTsuga spp. Ref.
PlantaeSaxifragaceaeSaxifraga spp. Ref.
PlantaeSolanaceaeCapsicum annuum Ref.
PlantaeVitaceaeVitis vinifera Ref.
PlantaeZingiberaceaeRenealmia regmelliana Ref.
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