getCSID {RMassBank} | R Documentation |
Given an InChIKey, this function queries the chemspider web API to retrieve the Chemspider ID of he compound with that InChIkey.
getCSID(query)
query |
The InChIKey of the compound |
Returns the chemspide
Michele Stravs, Eawag <stravsmi@eawag.ch>
Erik Mueller, UFZ <erik.mueller@ufz.de>
## Not run: # Return all CAS registry numbers stored for benzene. data <- getCtsRecord("UHOVQNZJYSORNB-UHFFFAOYSA-N") cas <- CTS.externalIdSubset(data, "CAS") ## End(Not run)