input word = C00011081

Metabolite InformationStructural formula
Name Malvidin 3-O-(6-O-(Z)-p-coumalonyl-beta-glucopyranoside)-5-O-beta-glucopyranoside
Formula C38H41O19
Mw 801.22420413
CAS RN
C_ID C00011081 ,
InChIKey KGEHZUCHEKVXEU-CXWSVGGGNA-O
InChICode InChI=1S/C38H40O19/c1-50-23-9-17(10-24(51-2)29(23)43)36-25(13-20-21(53-36)11-19(41)12-22(20)54-37-34(48)32(46)30(44)26(14-39)56-37)55-38-35(49)33(47)31(45)27(57-38)15-52-28(42)8-5-16-3-6-18(40)7-4-16/h3-13,26-27,30-35,37-39,44-49H,14-15H2,1-2H3,(H2-,40,41,42,43)/p+1/t26-,27+,30+,31+,32-,33+,34+,35+,37+,38+/m0/s1
SMILES COc1cc(-c2[o+]c3cc(O)cc(O[C@@H]4OC(CO)[C@@H](O)[C@H](O)C4O)c3cc2O[C@@H]2O[C@H](COC(=O)/C=Cc3ccc(O)cc3)[C@@H](O)C(O)C2O)cc(OC)c1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeOxalidaceaeOxalis triangularis Ref.
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OrganismOxalis triangularis
ReferenceFossen,Phytochem.,66,(2005),1133