input word = C00011080

Metabolite InformationStructural formula
Name Malvidin 3-O-(6-O-(4-O-malonyl-alpha-rhamnopyranosyl)-beta-glucopyranoside
Formula C32H37O19
Mw 725.192904
CAS RN
C_ID C00011080 ,
InChIKey SWOZHJRGJSGUJO-DGCTVIIINA-O
InChICode InChI=1S/C32H36O19/c1-11-29(51-22(37)9-21(35)36)26(41)28(43)31(47-11)46-10-20-24(39)25(40)27(42)32(50-20)49-19-8-14-15(34)6-13(33)7-16(14)48-30(19)12-4-17(44-2)23(38)18(5-12)45-3/h4-8,11,20,24-29,31-32,39-43H,9-10H2,1-3H3,(H3-,33,34,35,36,38)/p+1/t11-,20+,24+,25-,26+,27+,28-,29-,31+,32+/m0/s1
SMILES c1(c2c(cc(c1)O)[o+]c(c(c2)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO[C@H]1[C@H]([C@H]([C@H]([C@@H](O1)C)OC(=O)CC(=O)O)O)O)O)O)O)c1cc(c(c(c1)OC)O)OC)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeOxalidaceaeOxalis triangularis Ref.
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