OPSIN

Manipulator

Converts a valid IUPAC name into any of the following: png, cml, inchi, smiles, cdk molecule. The node uses the OPSIN (Open Parser for Systematic IUPAC nomenclature) web service for conversion.

Input Ports

  1. Type: Data Table containing IUPAC names.

Output Ports

  1. Type: Data Table containing the retrieved formats.

Find here

Community Nodes > CDK

Make sure to have this extension installed:

KNIME-CDK

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KNIME Community Contributions (3.7)

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