Classes, Superclasses and Pathways to be checked

[oolonek]

Currently we are expanding the DAG to allow for more plausible superclasses for classes and more plausible pathways for superclasses.

In this process if errors are detected, they are listed here.
This list can serve ad a basis for the further expansion and/or relabelling of the training dataset.

Fluorenes

Has been expanded to allow for polyketides.
Apparently these all derive from this pathways (see https://doi.org/10.1039/D0NP00065E) We might want to remove "Shikimates and Phenylpropanoids" if they are no counter examples.

We have to understand what is the biosynthetic origin of the cyclohexadione added to orsellinic acid

Orsellinic acid (62), which was condensed from three molecules of malonyl-CoA and a molecule of acetyl-CoA, was considered as the precursor.3162 was oxidized to a free radical, and then coupled with a 2,5-cyclohexadienone anion via free radical coupling to generate a key intermediate 63.

"Fluorenes": [
    "Shikimates and Phenylpropanoids",
    "Polyketides"
]

Flavonoids

Have been expanded to allow for polyketides.
These are emblematic structures resulting from multiple biosynthetic pathways.

 "Flavonoids": [
      "Shikimates and Phenylpropanoids",
      "Polyketides"
  ],