input word = C00011188

Metabolite InformationStructural formula
Name Malvidin 3-glucoside-4-vinylcatechol
Formula C31H29O14
Mw 625.15573064
CAS RN 403982-47-8
C_ID C00011188 ,
InChIKey RFTHDRVOYDHSOC-VKKNURBENA-O
InChICode InChI=1S/C31H28O14/c1-40-21-6-13(7-22(41-2)25(21)36)29-30(45-31-28(39)27(38)26(37)23(11-32)44-31)15-10-18(12-3-4-16(34)17(35)5-12)42-19-8-14(33)9-20(43-29)24(15)19/h3-10,23,26-28,31-32,37-39H,11H2,1-2H3,(H3-,33,34,35,36)/p+1/t23-,26-,27+,28-,31+/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)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeVitaceaeVitis vinifera Ref.
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