Retrieve the Chemspider ID for a given compound

Description

Given an InChIKey, this function queries the chemspider web API to retrieve the Chemspider ID of he compound with that InChIkey.

Usage

getCSID(query)

Arguments

Value

Returns the chemspide

Author(s)

Michele Stravs, Eawag <stravsmi@eawag.ch>

Erik Mueller, UFZ <erik.mueller@ufz.de>

Examples

## Not run: 
# Return all CAS registry numbers stored for benzene.
data <- getCtsRecord("UHOVQNZJYSORNB-UHFFFAOYSA-N")
cas <- CTS.externalIdSubset(data, "CAS")

## End(Not run)