Additional compound information.
(a) Molecular weight of compounds found in the dataset. Note that our methods undersample highly volatile (low-AMU) compounds. (b) Circle areas denote the number of compounds belonging to each class. Line widths show the number of compounds shared between two given classes. For visualization purposes in all other plots, compounds belonging to multiple classes were assigned a main class in descending order of priority as follows: nitrogenous/sulphurous, terpene/terpenoid (only if Ncarbons was a multiple of 5), aromatic, carbonyl-containing (aldehyde/ketone/ester/acid), alcohol, ether, hydrocarbon.