Each entry on BMRB's Metabolomics site is associated with a host of metadata that attempts to capture all the variations of nomenclature and common database IDs. The metabolomics search engine at BMRB performs a simple text search on these terms. Because the engine does not look for an exact match, the more specific the search term, the more refined the result.

Synonym:    This should be the most self-explanatory. These are common names and their variations. Enter in the word, "sugar," and you will get a number of results, but entering, "malt sugar" will only return maltose.

Systematic name:    The two most common systematic naming systems are based on the IUPAC (International Union of Pure and Applied Chemistry) nomenclature rules and Beilstein standard. They both describe a more complex molecule with elements of simpler sub-elements.

e.g. Caffein: 1,3,7-trimethylpurine-2,6-quinone

Database ID:    Database IDs are usually number based, often with a database identifier. The more specific you can make this search, the more useful it is. Database ID's from PubChem, BMRB, KEGG, ZINC, CAS, MDL and ChEBI can be found here.

e.g. Homoveratric acid: bmse000682, D-Salicin: ZINC03847505, cyanamide: 9864

Standard Chemical Formula:    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. We host a formula converter if you need it.

e.g. ADP: C10H15N5O10P2

SMILES string:    Simplified Molecular Input Line Entry Specification - Originally developed in the late 1980's by Arthur Weininger and David Weininger, SMILES strings capture a molecule's formula as well as structural linkages.

e.g. Cytoxine: C1=C(NC(=O)N=C1)N

InChI string:    This is another text representation of a molecular structure. It was developed by IUPAC and NIST (National Institute of Standards and Technology) in the early 2000's.

e.g. Alanine: InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)

You can generate a SMILES or InChI string with the molecular structure editor from the NCBI