Summary

In this post I will show how to create a function called VitaminData[ ] using information available in the Wolfram Knowledgebase. This custom function will provide chemical and physical data, molecule visualizations, lists of food sources rich on a specific vitamin and other nutritional data.

Function, data, uses:

• List

By way of comparison, the vitamins in the list of entities:

EntityList@EntityClass["Chemical", "Vitamins"]

The function I created has an extended list of vitamins, of course some are questionable and/or old definitions, but I found it interesting to add to the function for didactic reasons and to make the study more complete.

VitaminData["List"]

• Show

Using the function more simply we get the vitamin in the form of entity:

VitaminData["A"]

With the optional “Show” we have several options, one of them is the 2D model:

VitaminData["B12", "Show" -> "Model2D"]

Using “Show” for the 3D model:

VitaminData["B12", "Show" -> "Model3D"]

We can visualize each bond in the molecule with "Show" and "Bonds":

VitaminData["B5", "Show" -> "Bonds"]

We can count atoms and show their respective charges with "Show" and "Atoms":

VitaminData["B12", "Show" -> "Atoms"]

To have the complete list of properties available in the optional “Show”, use “Properties”:

VitaminData["A", "Show" -> "Properties"]

For example, the molecular mass:

VitaminData["H", "Show" -> "MolecularMass"]

Another example of one of the properties from the list above is NFPALabel:

VitaminData["K1", "Show" -> "NFPALabel"]

With the optional “Show” and “Data”, all properties of the above list are shown at once, interactively:

VitaminData["C", "Show" -> "Data"]

• Food

Another function option is “Food”, where the relative amount of each vitamin in a specific food is determined:

VitaminData["C", "Food" -> "Banana"]

If we use the function only with “Food”, without naming the vitamin, the full list of vitamins for a specific food is shown:

VitaminData["Food" -> "Apple"]

• Nutritional Information

Another option for the function is “Nutri”, which is the nutritional information of foods in label form. Below is the example for four types of foods:

Table[VitaminData[
  "Nutri" -> n], {n, {"Banana", "Carrot", "Shrimp", "Salmon"}}]

Code

• Code of the function VitaminData[]:

  VitaminData["List"] := VitaminData["A", "Show" -> "List"];
  VitaminData[vita_, OptionsPattern[]] := 
   Module[{Vitamin, vitamins, ss, cc, a0, a1, a2, a3, a4, a5, a6, a7, 
     ai}, Options[VitaminData] = {"Show" -> "Entity"}; 
    ss = {"A", "B1", "B2", "B3", "B4", "B5", "B6", "B12", "C", "D2", 
      "D3", "H", "H1", "K1", "K3", "K5", "M", "P", "AlphaTocopherol", 
      "DAlphaTocopherol", "Niacin", "Choline"}; 
    Vitamin[vit_] := (vitamins = 
       Join[Table[
         Entity["Chemical", 
          StringJoin["Vitamin", i]], {i, {"A", "B1", "B2", "B3", "B4", 
           "B5", "B6", "B12", "C", "D2", "D3", "H", "H1", "K1", "K3", 
           "K5", "M", "P"}}], 
        Table[Entity["Chemical", 
          j], {j, {"AlphaTocopherol", "DAlphaTocopherol", "Niacin", 
           "Choline"}}]]; cc = vit /. AssociationThread[ss, Range@22]; 
      vitamins[[cc]]); a0 = Thread[{ss, Vitamin[All]}]; 
    a1 = Vitamin[vita]; 
    a2 = Dataset[
      EntityValue[Vitamin[vita], 
       EntityValue[Vitamin[vita], "Properties"], 
       "PropertyAssociation"]]; 
    a3 = MoleculePlot[Vitamin[vita], ImageSize -> Large]; 
    a4 = MoleculePlot3D[Vitamin[vita], ImageSize -> Large];
    a5 = BondList@Vitamin[vita]; a6 = Counts@AtomList@Vitamin[vita];
    a7 = Thread[{Map[Text[Style[#, Small]] &, 
        DeleteCases[
         StringReplace[
           StringDelete[
            EntityValue[Entity["Chemical", "VitaminA"], "Properties"] //
               InputForm // ToString, {"EntityProperty[", "Chemical", 
             "]"}], {FromCharacterCode[32] -> ""}] // ToExpression, 
         ""]], EntityValue[Entity["Chemical", "VitaminA"], 
        "Properties"]}]; 
    ai = EntityValue[Vitamin[vita], OptionValue["Show"]]; 
    If[MemberQ[{"List", "Entity", "Data", "Model2D", "Model3D", "Bonds",
         "Atoms", "Mass", "Properties"}, OptionValue["Show"]] == True, 
     OptionValue["Show"] /. {"List" -> a0, "Entity" -> a1, "Data" -> a2,
        "Model2D" -> a3, "Model3D" -> a4, "Bonds" -> a5, "Atoms" -> a6, 
       "Properties" -> a7}, ai]]
  VitaminData["Nutri" -> al_] := {Entity["FoodType", al], 
     Entity[
       "Food", {EntityProperty["Food", "FoodType"] -> 
         ContainsExactly[{Entity["FoodType", al]}], 
        EntityProperty["Food", "AddedFoodTypes"] -> 
         ContainsExactly[{}]}][
      EntityProperty["Food", "NutritionLabel"]]};
  VitaminData[x_, "Food" -> y_] := 
   Module[{bb}, 
    bb = Entity[
       "Food", {EntityProperty["Food", "FoodType"] -> 
         ContainsExactly[{Entity["FoodType", y]}], 
        EntityProperty["Food", "AddedFoodTypes"] -> 
         ContainsExactly[{}]}][
      EntityProperty["Food", 
       x /. AssociationThread[{"A", "B1", "B2", "B3", "B4", "B5", "B6", 
          "B12", "C", "D2", "D3", "H", "H1", "K1", "K3", "K5", "M", "P",
           "AlphaTocopherol", "DAlphaTocopherol", "Niacin", 
          "Choline"}, {"RelativeVitaminAContent", 
          "RelativeThiaminContent", "RelativeRiboflavinContent", 
          "NoData", "NoData", "RelativePantothenicAcidContent", 
          "RelativeVitaminB6Content", "RelativeVitaminB12Content", 
          "RelativeVitaminCContent", "RelativeVitaminD2Content", 
          "RelativeVitaminD3Content", "RelativeBiotinContent", "NoData",
           "RelativeVitaminKContent", "RelativeVitaminKContent", 
          "RelativeVitaminKContent", "RelativeFolicAcidContent", 
          "NoData", "RelativeVitaminEContent", 
          "RelativeVitaminEContent", "RelativeNiacinContent", 
          "RelativeCholineContent"}]]]; 
    If[QuantityQ[bb] == True, {x, bb}, {x, "NoData"}]]; 
  VitaminData["Food" -> an_] := 
   Map[VitaminData[#, "Food" -> an] &, {"A", "B1", "B2", "B3", "B4", 
     "B5", "B6", "B12", "C", "D2", "D3", "H", "H1", "K1", "K3", "K5", 
     "M", "P", "AlphaTocopherol", "DAlphaTocopherol", "Niacin", 
     "Choline"}]
  

Food Ranking

Below we can see that there are 1816 foods in the Mathematica database as “FoodType” entities. I decided to leave this option out of the VitaminData[] function because each evaluation takes a long time to perform.

SparseArray@EntityList@Entity["FoodType"]

Below are some examples of vitamin ranking lists (top 10 foods) for all foods in the database. In this case I could specify some very specific types as well, such as Beta-Tocopherol (instead of Alpha-Tocopherol, for example) and vitamin D3:

• Vitamin C

  MaximalBy[
   Thread[{EntityList@Entity["FoodType"], 
     Map[Entity[
         "Food", {EntityProperty["Food", "FoodType"] -> 
           ContainsExactly[{#}], 
          EntityProperty["Food", "AddedFoodTypes"] -> 
           ContainsExactly[{}]}][
        EntityProperty["Food", "RelativeVitaminCContent"]] &, 
      EntityList@Entity["FoodType"]]}], Last, UpTo[10]]
  

• Vitamin A

  MaximalBy[
   Thread[{EntityList@Entity["FoodType"], 
     Map[Entity[
         "Food", {EntityProperty["Food", "FoodType"] -> 
           ContainsExactly[{#}], 
          EntityProperty["Food", "AddedFoodTypes"] -> 
           ContainsExactly[{}]}][
        EntityProperty["Food", "RelativeVitaminAContent"]] &, 
      EntityList@Entity["FoodType"]]}], Last, UpTo[10]]
  

• Vitamin B6

  MaximalBy[
   Thread[{EntityList@Entity["FoodType"], 
     Map[Entity[
         "Food", {EntityProperty["Food", "FoodType"] -> 
           ContainsExactly[{#}], 
          EntityProperty["Food", "AddedFoodTypes"] -> 
           ContainsExactly[{}]}][
        EntityProperty["Food", "RelativeVitaminB6Content"]] &, 
      EntityList@Entity["FoodType"]]}], Last, UpTo[10]]
  

• Beta-Tocopherol

  MaximalBy[
   Thread[{EntityList@Entity["FoodType"], 
     Map[Entity[
         "Food", {EntityProperty["Food", "FoodType"] -> 
           ContainsExactly[{#}], 
          EntityProperty["Food", "AddedFoodTypes"] -> 
           ContainsExactly[{}]}][
        EntityProperty["Food", "RelativeBetaTocopherolContent"]] &, 
      EntityList@Entity["FoodType"]]}], Last, UpTo[10]]
  

• Vitamin D3

  MaximalBy[
   Thread[{EntityList@Entity["FoodType"], 
     Map[Entity[
         "Food", {EntityProperty["Food", "FoodType"] -> 
           ContainsExactly[{#}], 
          EntityProperty["Food", "AddedFoodTypes"] -> 
           ContainsExactly[{}]}][
        EntityProperty["Food", "RelativeVitaminD3Content"]] &, 
      EntityList@Entity["FoodType"]]}], Last, UpTo[10]]
  

These lists above were just a few examples of vitamin ranking using all foods in the database and could be extended to various other substances.

Thanks.