input word = C00006721

Metabolite InformationStructural formula
Name Petunidin 3-O-beta-D-galactopyranoside
Petunidin 3-galactoside
Formula C22H23O12
Mw 479.1189512
CAS RN 28500-02-9
C_ID C00006721 ,
InChIKey CCQDWIRWKWIUKK-GIVSQGBSNA-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
PlantaeEricaceaeEmpetrum nigrum Ref.
PlantaeEricaceaeGaylussacia spp. Ref.
PlantaeEricaceaeVaccinium arboreum Ref.
PlantaeEricaceaeVaccinium corymbosum Ref.
PlantaeEricaceaeVaccinium myrtillus L. Ref.
PlantaeEricaceaeVaccinium padifolium Ref.
PlantaeMyrsinaceaeArdisia humilis Ref.
PlantaePoaceaeOryza sativa Ref.
zoom in