Table 3 Statistics of the provided database.
Identifier type | Identifier name | Number of identifiers |
|---|---|---|
Groups | _id | 1439 |
PRIMe chemical standards | rlib | 1287 |
RIKEN MS Library [33] | riken | 241 |
Synonym | synonym | 11180 |
Sum-formula | formula | 951 |
CAS | cas | 2416 |
KEGG Compounds [34] | kegg | 1297 |
KEGG Pathway [34] | pathway | 184 |
PubChem Compound [22] | cid | 1857 |
PubChem Substance [35] | sid | 1077 |
IUPAC Names | iupac | 1928 |
SMILES | smiles | 2666 |
InChI | inchi | 1668 |
KNApSAcK [36] | knapsack | 671 |
KaPPA-View [1] | kappav | 261 |
LipidBank [37] | lipidbank | 127 |
Lipid maps [38] | lipidmaps | 178 |
ChEBI [13] | chebi | 1177 |
Chemspider | chemspider | 1001 |
MPIMP MS library [21] | mpimp | 3439 |
PlantCyc Frame ID [25] | cycdb | 495 |