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 COc1cc(-c2[o+]c3cc(O)cc(O)c3cc2O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)cc(O)c1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEricaceaeVaccinium myrtillus L. Ref.
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