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About This Database

InChI and InChIKey

Data description
Data name
InChI and InChIKey
DOI
10.18908/lsdba.nbdc01530-02-002.V011
Description of data contents
This RDF data contains InChI and InChIKey of chemical substances registered in Nikkaji by using CHEMINF, SIO and other ontologies. We recommend using this RDF together with the Core RDF.
Data file
File name :
NBDC_NikkajiRDF_InChI.tar.gz
File URL :
File size :
510 MB
Simple search URL
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Data acquisition method

InChI and InChIKey were obtained from J-GLOBAL Chemical Substance Database. Only available for substances with 'Substance Type: Decided Structure'.

Data analysis method

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Number of data entries

3,493,208 compounds

Data detail
No detailed data is available.
Data item Description