input word = C00014830

Metabolite InformationStructural formula
Name Malvidin 3-glucoside-5-(6-acetylglucoside)
Formula C30H35O19
Mw 699.17725394
CAS RN
C_ID C00014830 ,
InChIKey JGLPYOOPDJNLDC-GMICACGHNA-O
InChICode InChI=1S/C30H34O19/c1-42-15-3-10(4-16(43-2)20(15)33)27-17(47-29-25(38)23(36)21(34)18(8-31)48-29)7-12-13(45-27)5-11(32)6-14(12)46-28-26(39)24(37)22(35)19(49-28)9-44-30(40)41/h3-7,18-19,21-26,28-29,31,34-39H,8-9H2,1-2H3,(H2-,32,33,40,41)/p+1/t18-,19-,21-,22-,23+,24+,25-,26-,28-,29-/m1/s1
SMILES COc1cc(-c2[o+]c3cc(O)cc(O[C@@H]4OC(COC(=O)O)[C@@H](O)[C@H](O)C4O)c3cc2O[C@@H]2OC(CO)[C@@H](O)[C@H](O)C2O)cc(OC)c1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeGeraniaceaeGeranium Johnsons Blue Ref.
PlantaeGeraniaceaePelargonium dolomiticum Ref.
zoom in