input word = C00011189

Metabolite InformationStructural formula
Name Malvidin 3-glucoside-4-vinylguaiacol
Formula C32H31O14
Mw 639.1713807
CAS RN 388089-40-5
C_ID C00011189 ,
InChIKey QARRSDFIUQJIHX-HFNBOZMNNA-O
InChICode InChI=1S/C32H30O14/c1-40-19-6-13(4-5-17(19)35)18-11-16-25-20(43-18)9-15(34)10-21(25)44-30(14-7-22(41-2)26(36)23(8-14)42-3)31(16)46-32-29(39)28(38)27(37)24(12-33)45-32/h4-11,24,27-29,32-33,37-39H,12H2,1-3H3,(H2-,34,35,36)/p+1/t24-,27-,28+,29-,32+/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)c1ccc(c(c1)OC)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeVitaceaeVitis vinifera Ref.
zoom in