input word = C00006701

Metabolite InformationStructural formula
Name Delphinidin 7-glucoside
Formula C21H21O12
Mw 465.10330114
CAS RN 27413-99-6
C_ID C00006701 ,
InChIKey BYVVSZFWJGRSIK-MXEDXGQJNA-O
InChICode InChI=1S/C21H20O12/c22-6-15-17(28)18(29)19(30)21(33-15)31-8-3-10(23)9-5-13(26)20(32-14(9)4-8)7-1-11(24)16(27)12(25)2-7/h1-5,15,17-19,21-22,28-30H,6H2,(H4-,23,24,25,26,27)/p+1/t15-,17+,18-,19+,21+/m0/s1
SMILES c1(cc(c2c(c1)[o+]c(c(c2)O)c1cc(c(c(c1)O)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)CO)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAnacardiaceaeCotinus coggygria Ref.
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