get_compound_class

Get the class information of a compound using classyfire.

get_compound_class(
  inchikey = "QZDWODWEESGPLC-UHFFFAOYSA-N",
  server = "http://classyfire.wishartlab.com/entities/",
  sleep = 5
)

Arguments

inchikey

The inchikey ID of a metabolite.

server

server.

sleep

Sleep time for system. Second.

Value

A classyfire class object.

Author

Xiaotao Shen shenxt1990@outlook.com

Examples

get_compound_class(
inchikey = "QZDWODWEESGPLC-UHFFFAOYSA-N",
server = "http://classyfire.wishartlab.com/entities/",
sleep = 5
)
#> ✔ QZDWODWEESGPLC-UHFFFAOYSA-N is available in website.
#> ── classyfire Object ─────────────────────────────────────── masstools v1.0.2 ──
#> Object Size: 9.1 Kb 
#>  
#> 
#> Information:
#> SMILES: CC(=O)Oc1cccnc1
#> InChIKey: InChIKey=QZDWODWEESGPLC-UHFFFAOYSA-N
#> Formula: C7H7NO2
#> Mass: 137.138
#> Kingdom : Organic compounds
#> └─Superclass : Organoheterocyclic compounds
#>   └─Class : Pyridines and derivatives