input word = C00031728

Metabolite InformationStructural formula
Name Delphinidin 3-alpha-L-arabinopyranoside
Formula C20H19O11
Mw 435.09273645
CAS RN 171370-55-1
C_ID C00031728 ,
InChIKey XZUBZVMZVWFBNE-KJVWYVRPNA-O
InChICode InChI=1S/C20H18O11/c21-8-3-10(22)9-5-15(31-20-18(28)17(27)13(25)6-29-20)19(30-14(9)4-8)7-1-11(23)16(26)12(24)2-7/h1-5,13,17-18,20,25,27-28H,6H2,(H4-,21,22,23,24,26)/p+1/t13-,17+,18+,20+/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)O)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEricaceaeVaccinium myrtillus L. Ref.
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