input word = C00030972

Metabolite InformationStructural formula
Name Petunidin 3-O-alpha-L-arabinopyranoside
Formula C21H21O11
Mw 449.10838652
CAS RN 679429-94-8
C_ID C00030972 ,
InChIKey XYWFSSFJPFAYCA-OQWDDKLPNA-O
InChICode InChI=1S/C21H20O11/c1-29-15-3-8(2-12(24)17(15)26)20-16(32-21-19(28)18(27)13(25)7-30-21)6-10-11(23)4-9(22)5-14(10)31-20/h2-6,13,18-19,21,25,27-28H,7H2,1H3,(H3-,22,23,24,26)/p+1/t13-,18+,19-,21+/m0/s1
SMILES c1(cc(c2c(c1)[o+]c(c(c2)O[C@@H]1[C@H]([C@@H]([C@H](CO1)O)O)O)c1cc(c(c(c1)OC)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEricaceaeVaccinium myrtillus L. Ref.
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