input word = C00006728

Metabolite InformationStructural formula
Name Petunin
Petunidin 3,5-di-O-beta-D-glucoside
Formula C28H33O17
Mw 641.17177463
CAS RN 25846-73-5
C_ID C00006728 ,
InChIKey KLRABYJGMPNMSA-LOHFLRHRNA-O
InChICode InChI=1S/C28H32O17/c1-40-15-3-9(2-12(32)19(15)33)26-16(43-28-25(39)23(37)21(35)18(8-30)45-28)6-11-13(41-26)4-10(31)5-14(11)42-27-24(38)22(36)20(34)17(7-29)44-27/h2-6,17-18,20-25,27-30,34-39H,7-8H2,1H3,(H2-,31,32,33)/p+1/t17-,18-,20-,21-,22+,23+,24-,25-,27-,28-/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[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeElaeocarpaceaeAristotelia chilensis Ref.
PlantaeFabaceaeMedicago sativa Ref.
PlantaeFabaceaePisum sativum Ref.
PlantaeFabaceaeVicia spp. Ref.
PlantaeGeraniaceaePelargonium dolomiticum Ref.
PlantaeIridaceaeCrocus antalyensis Ref.
PlantaeIridaceaeCrocus sieberi Ref.
PlantaeIridaceaeGladiolus spp. Ref.
PlantaeLabiataeOcimum basilicum Ref.
PlantaeLythraceaePunica granatum Ref.
PlantaeMyrsinaceaeCyclamen persicum Ref.
PlantaeMyrtaceaeMetrosideros spp. Ref.
PlantaeOnagraceaeFuchsia spp. Ref.
PlantaePassifloraceaePassiflora quadrangularis Ref.
PlantaeRosaceaeRosa spp. Ref.
PlantaeSaxifragaceaeSaxifraga spp. Ref.
PlantaeSolanaceaePetunia x hybrida Ref.
PlantaeVitaceaeVitis rotundifolia Ref.
PlantaeVitaceaeVitis vinifera Ref.
PlantaeZingiberaceaeRenealmia regmelliana Ref.
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OrganismVitis rotundifolia
ReferenceRobinson,G.M.et al.,Biochem.J.,25,(1931),1687-1705