input word = C00006688

Metabolite InformationStructural formula
Name Peonidin-3,5-diglucoside
Peonin
Peonidin 3,5-diglucoside
Peonidin 3-glucoside-5-glucoside
Formula C28H33O16
Mw 625.17686001
CAS RN 132-37-6
C_ID C00006688 ,
InChIKey IPVSUYLZIAYTOK-NGAYGKTRNA-O
InChICode InChI=1S/C28H32O16/c1-39-16-4-10(2-3-13(16)32)26-17(42-28-25(38)23(36)21(34)19(9-30)44-28)7-12-14(40-26)5-11(31)6-15(12)41-27-24(37)22(35)20(33)18(8-29)43-27/h2-7,18-25,27-30,33-38H,8-9H2,1H3,(H-,31,32)/p+1/t18-,19+,20+,21+,22-,23-,24+,25+,27+,28+/m0/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)c1ccc(c(c1)OC)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
Plantae--Lonicera japonica Ref.
PlantaeBromeliaceaeAnanas comosus Ref.
PlantaeBromeliaceaeTillandsia spp. Ref.
PlantaeCombretaceaeLumnitzera littorea Ref.
PlantaeConvolvulaceaeIpomoea nil Ref.
PlantaeDioscoreaceaeDioscorea trifida Ref.
PlantaeDioscoreaceaeDioscorea tryphida Ref.
PlantaeEricaceaeRhododendron simsii Ref.
PlantaeGeraniaceaePelargonium sp. Ref.
PlantaeIridaceaeGladiolus spp. Ref.
PlantaeLabiataePrunella vulgaris Ref.
PlantaeMagnoliaceaeMagnolia spp. Ref.
PlantaeMyrtaceaeBeaufortia squarrosa Ref.
PlantaeOnagraceaeFuchsia hybrida Ref.
PlantaePaeoniaceaePaeonia albiflora Ref.
PlantaePaeoniaceaePaeonia spp. Ref.
PlantaePoaceaeOryza sativa Ref.
PlantaePodocarpaceaePodocarpus spp. Ref.
PlantaeSaxifragaceaeSaxifraga spp. Ref.
PlantaeVitaceaeVitis vinifera Ref.
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OrganismBeaufortia squarrosa
ReferenceHarborne, The Handbook of Natural Flavonoids, 2, (1999), 1,Anthocyanins

Willstatter,Ann.,408,(1915),136

Francis,Proc.Am.Soc.Hortic.Sci.,89,(1966),657