input word = C00011186

Metabolite InformationStructural formula
Name Malvidin 3-glucoside-pyruvate
Formula C26H25O14
Mw 561.12443051
CAS RN 388089-38-1
C_ID C00011186 ,
InChIKey QVULQDHVHOUFCX-OXHAZVJCNA-O
InChICode InChI=1S/C26H24O14/c1-35-14-3-9(4-15(36-2)19(14)29)23-24(40-26-22(32)21(31)20(30)17(8-27)39-26)11-7-16(25(33)34)37-12-5-10(28)6-13(38-23)18(11)12/h3-7,17,20-22,26-27,30-32H,8H2,1-2H3,(H2-,28,29,33,34)/p+1/t17-,20-,21-,22+,26-/m1/s1
SMILES C1(=Cc2c3c(O1)cc(cc3[o+]c(c2O[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)CO)O)O)O)c1cc(c(c(c1)OC)O)OC)O)C(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeVitaceaeVitis vinifera Ref.
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