Generate inChi

Created: 2010-07-09 10:06:35 Last updated: 2010-07-09 10:08:37

Generates an inChi string for a given chemical represented by its SMILES string, SDF or MOL file using the inchi web service provided by ChemSpider

Option 1:

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Authors (1)

Titles (1)

Descriptions (1)

Dependencies (0)

Inputs (5)

Name	Description
compound	A chemical compound represented by its MOL, SDF, SMILES string or InChi string
format	MOL or SDF or SMILES or InChI
version	v102b or v102s
stereo	No or Absolute or Relative or Racemic
fixedH	A boolean value

Processors (4)

Name	Type	Description
GenerateInChI	wsdl	Wsdl http://www.chemspider.com/InChI.asmx?WSDL Wsdl Operation GenerateInChI
GenerateInChI_input	xmlsplitter
GenerateInChI_output	xmlsplitter
GenerateInChI_flags	xmlsplitter

Beanshells (0)

Outputs (1)

Name	Description
inchi	An inChi string

Datalinks (9)

Source	Sink
GenerateInChI_input:output	GenerateInChI:parameters
compound	GenerateInChI_input:str
format	GenerateInChI_input:format
GenerateInChI_flags:output	GenerateInChI_input:flags
GenerateInChI:parameters	GenerateInChI_output:input
version	GenerateInChI_flags:version
stereo	GenerateInChI_flags:stereo
fixedH	GenerateInChI_flags:fixedH
GenerateInChI_output:GenerateInChIResult	inchi