input word = C00006722

Metabolite InformationStructural formula
Name Petunidin 3-O-beta-D-glucopyranoside
Petunidin 3-glucoside
Formula C22H23O12
Mw 479.1189512
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 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)OC)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
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.
PlantaeOrchidaceaeBroughtonia spp. Ref.
PlantaePassifloraceaePassiflora suberosa Ref.
PlantaePinaceaeAbies spp. Ref.
PlantaePinaceaePicea spp. Ref.
PlantaePinaceaePinus banksiana Ref.
PlantaePinaceaePseudotsuga spp. Ref.
PlantaePinaceaeTsuga spp. Ref.
PlantaeSaxifragaceaeSaxifraga spp. Ref.
PlantaeVitaceaeVitis vinifera Ref.
PlantaeZingiberaceaeRenealmia regmelliana Ref.
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