input word = C00011187

Metabolite InformationStructural formula
Name Malvidin 3-glucoside-4-vinylphenol
Formula C31H29O13
Mw 609.16081601
CAS RN 388089-39-2
C_ID C00011187 ,
InChIKey QVDUZUIZMDYJSK-VKKNURBENA-O
InChICode InChI=1S/C31H28O13/c1-39-21-7-14(8-22(40-2)25(21)35)29-30(44-31-28(38)27(37)26(36)23(12-32)43-31)17-11-18(13-3-5-15(33)6-4-13)41-19-9-16(34)10-20(42-29)24(17)19/h3-11,23,26-28,31-32,36-38H,12H2,1-2H3,(H2-,33,34,35)/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(cc1)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeVitaceaeVitis vinifera Ref.
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