The information in this Metabolomics database is available to the NMR
community free of charge. It is still under development and is not free from
errors. If you come across any questionable data, please
contact us and let us know
which compound or compounds require our attention.
You can generate a SMILES or InChI string with the NCBI molecular editing tool
The standard way to write the simplified chemical formula for an organic molecule is to
put the symbol for carbon first, followed by the number of carbon atoms in the molecule. Then do the same
thing for each additional atom in the order that they appear in the periodic table of the elements.
e.g. ADP: C10H15N5O10P2