RMassBank (version 2.0.0)

getCactus: Retrieve information from Cactus

Description

Retrieves information from the Cactus Chemical Identifier Resolver (PubChem).

Usage

getCactus(identifier, representation)

Arguments

identifier

Any identifier interpreted by the resolver, e.g. an InChI key or a SMILES code.

representation

The desired representation, as required from the resolver. e.g. stdinchikey, chemspider_id, formula... Refer to the webpage for details.

Value

The result of the query, in plain text. Can be NA, or one or multiple lines (character array) of results.

Details

It is not necessary to specify in which format the identifier is. Somehow, cactus does this automatically.

References

cactus Chemical Identifier Resolver: http://cactus.nci.nih.gov/chemical/structure

See Also

getCtsRecord, getPcId

Examples

# Benzene:
getCactus("C1=CC=CC=C1", "cas")
getCactus("C1=CC=CC=C1", "stdinchikey")
getCactus("C1=CC=CC=C1", "chemspider_id")