ChemSpider

A free database of chemicals, covering around 26 million compounds integrated from 400 data sources.

The database APIs are free for academic users, or for non-academic non-commercial users. Commercial users may pay a fee but are encouraged to contact the ChemSpider help address (chemspider@rsc.org). The web services require an access token which is provided on request.

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Data and Resources

Simple Search
Search for Chemical

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Structure Search
Structure Search

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Advanced Search
Advanced Search

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Mass Spectrometry API - GetCompressedRecordsSdfSDF
Mass Spectrometry API - Compressed Search Result

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Mass Spectrometry API - List data sources
Mass Spectrometry API - List data sources

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Mass Spectrometry API - Extended Chemical Info ...
Mass Spectrometry API - Extended Chemical Info (auth required)

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Mass Spectrometry API - Extended info for ...
Mass Spectrometry API - Extended info for multiple chemicals (auth required)

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Mass Spectrometry API - Get individual recordMOL
Mass Spectrometry API - Get individual record

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Mass Spectrometry API - Get recordsSDF
Mass Spectrometry API - Get records

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Mass Spectrometry API - Search by formula ...
Mass Spectrometry API - Search by formula (deprecated)

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Mass Spectrometry API - Search by formula (v2)
Mass Spectrometry API - Search by formula (v2)

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Mass Spectrometry API - Search by formula ...
Mass Spectrometry API - Search by formula asyncronously

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Mass Spectrometry API - Search by mass ...
Mass Spectrometry API - Search by mass (deprecated)

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Mass Spectrometry API - Search by mass (v2)
Mass Spectrometry API - Search by mass (v2)

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Mass Spectrometry API - Search by mass ...
Mass Spectrometry API - Search by mass asyncronously

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Search API - Simple Search (auth required)
Search API - Simple Search (auth required)

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Search API - CSID to Ext (auth required)
Search API - CSID to Ext (auth required)

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Search API - Elements (auth required)
Search API - Elements (auth required)

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Search API - Asynchronous Search (auth required)
Search API - Asynchronous Search (auth required)

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Search API - Asynchronous Search, partial ...
Search API - Asynchronous Search, partial result (auth required)

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Search API - Get compound's info (auth required)
Search API - Get compound's info (auth required)

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Search API - Get compound's thumbnail (auth ...
Search API - Get compound's thumbnail (auth required)

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Search API - Get data slice's compound ids ...
Search API - Get data slice's compound ids (auth required)

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Search API - Get record's details
Search API - Get record's details

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Search API - Get record's image
Search API - Get record's image

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Search API - Intrinsic Properties (auth required)
Search API - Intrinsic Properties (auth required)

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Search API - Search by LASSO (auth required)
Search API - Search by LASSO (auth required)

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Search API - Search by MOL in dataset (auth ...
Search API - Search by MOL in dataset (auth required)

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Search API - Search by MOL (auth required)
Search API - Search by MOL (auth required)

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Search API - Predicted Properties (auth required)
Search API - Predicted Properties (auth required)

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Search API - Similarity Search (auth required)
Search API - Similarity (auth required)

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Search API - Simple Search (auth required)
Search API - Simple Search (auth required)

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Search API - Simple Search by list of chemical ...
Search API - Simple Search by list of chemical IDs (auth required)

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Search API - Structure Search (auth required)
Search API - Structure Search (auth required)

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Search API - Substructure Search (auth required)
Search API - Substructure Search (auth required)

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Spectra API - Gett All Spectra Information
Spectra API - Gett All Spectra Information

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Spectra API - Get spectra information for a ...
Spectra API - Get spectra information for a specific compound

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Spectra API - Get spectra information for ...
Spectra API - Get spectra information for a list of chemical IDs

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Spectra API - Get spectra information for a ...
Spectra API - Get spectra information for a chemical

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InChI API - CSID to MOL (auth required)
InChI API - CSID to MOL (auth required)

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InChI API - Generate InChI
InChI API - Generate InChI

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InChI API - Generate InChI, InChIKey and AuxInfo
InChI API - Generate InChI, InChIKey and AuxInfo

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InChI API - Convert InChIKey to ChemSpider ID
InChI API - Convert InChIKey to ChemSpider ID

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InChI API - Convert InChIKey to InChI
InChI API - Convert InChIKey to InChI

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InChI API - Convert InChIKey to MOL
InChI API - Convert InChIKey to MOL

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InChI API - Convert InChIKey to ChemSpider ID
InChI API - Convert InChIKey to ChemSpider ID

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InChI API - Convert InChI to InChIKey
InChI API - Convert InChI to InChIKey

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InChI API - Convert InChI to MOL
InChI API - Convert InChI to MOL

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InChI API - Convert InChI to SMILES
InChI API - Convert InChI to SMILES

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InChI API - Check InChIKKet is valid
InChI API - Check InChIKKet is valid

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InChI API - Convert MOL to InChIKey
InChI API - Convert MOL to InChIKey

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InChI API - Resolve InChIKey against ChemSpider
InChI API - Resolve InChIKey against ChemSpider

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InChI API - Convert SMILES to InChI
InChI API - Convert SMILES to InChI

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OpenBabel API - Convert between formats
OpenBabel API - Convert between formats

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Return Search results as RDFRDF
Search and return results as RDF

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Return RDF for a ChemSpider IDRDF
Return RDF for a ChemSpider ID

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Additional Info

Field	Value
Source	http://www.chemspider.com/
Author	Royal Society of Chemistry
Maintainer	Royal Society of Chemistry
Last Updated	October 10, 2013, 20:16 (UTC)
Created	September 27, 2011, 01:46 (UTC)