input word = C00039728

Metabolite InformationStructural formula
Name Malvidin 3-O-glucoside
Formula C23H25O12
Mw 493.13460127
CAS RN 18470-06-9
C_ID C00039728 ,
InChIKey DPMNQRUHPYHEIX-CULQDEAENA-N
InChICode InChI=1S/C23H25O12/c1-31-14-3-9(4-15(32-2)18(14)27)22-16(7-11-12(26)5-10(25)6-13(11)33-22)34-23-21(30)20(29)19(28)17(8-24)35-23/h3-7,17,19-21,23-30H,8H2,1-2H3/t17-,19-,20+,21-,23-/m1/s1
SMILES c1(cc(c2c(c1)[O]=C(C(=C2)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)c1cc(c(c(c1)OC)O)OC)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEricaceaeVaccinium padifolium Ref.
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