input word = C00006734

Metabolite InformationStructural formula
Name Primulin
Malvidin 3-O-beta-D-galactopyranoside
Formula C23H25O12
Mw 493.13460127
CAS RN 30113-37-2
C_ID C00006734 ,
InChIKey PXUQTDZNOHRWLI-KPGBKAJINA-O
InChICode InChI=1S/C23H24O12/c1-31-14-3-9(4-15(32-2)18(14)27)22-16(7-11-12(26)5-10(25)6-13(11)33-22)34-23-21(30)20(29)19(28)17(8-24)35-23/h3-7,17,19-21,23-24,28-30H,8H2,1-2H3,(H2-,25,26,27)/p+1/t17-,19-,20-,21+,23+/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)c1cc(c(c(c1)OC)O)OC)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCoriariaceaeCoriaria myrtifolia Ref.
PlantaeEricaceaeEmpetrum nigrum Ref.
PlantaeEricaceaeGaylussacia spp. Ref.
PlantaeEricaceaeVaccinium corymbosum Ref.
PlantaeEricaceaeVaccinium myrtillus L. Ref.
PlantaeEricaceaeVaccinium padifolium Ref.
PlantaeEricaceaeVaccinium spp. Ref.
PlantaeMyrsinaceaeArdisia humilis Ref.
PlantaePoaceaeOryza sativa Ref.
PlantaeSapindaceaeBlighia sieboldii Ref.
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