OPSIN

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.

Options

IUPAC name column
IUPAC names column in input table.
Conversion formats
Defines the return formats for the output table.

Input Ports

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Table containing IUPAC names.

Output Ports

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Table containing the retrieved formats.

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Installation

To use this node in KNIME, install the extension KNIME-CDK from the below update site following our NodePit Product and Node Installation Guide:

v5.3

A zipped version of the software site can be downloaded here.

Plugin provider: KNIME GmbH, Konstanz and EMBL-EBI, Cambridge
Plugin version: 1.5.700.v202407101048
On NodePit since: 2024-07-11
Last update: 2024-11-20
KNIME versions: v5.3, v5.2, v5.1, v4.7, v4.6, v4.5, v4.4, v4.3, v4.2, v4.1, v4.0, v3.7, v3.6

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