Defines super_parent_syn
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During compound standardization/registration, it can be helpful to preserve molecule identifiers for mapping synonyms or related molecules. This function mirrors the `super_parent` function, but captures InChI identifiers at each sanitization step and assigns them as properties of the sanitized molecule (either InChI or InChI Key). ```python smi = '[13CH3][C@@h](C)C/C=C([O-])\O.[Na+]' mol = Chem.MolFromSmiles(smi) mol_san = super_parent_syn(mol, 'inchikey') mol_san.GetPropsAsDict() ``` ``` {'fragment_inchikey': 'GCBSTXJCFNXFGB-DQIXCRJTSA-M', 'charge_inchikey': 'VBJZLOGJBQCFRJ-BBAZYXFWSA-M', 'isotope_inchikey': 'VBJZLOGJBQCFRJ-BBAZYXFWSA-N', 'stereo_inchikey': 'VBJZLOGJBQCFRJ-UHFFFAOYSA-N', 'tautomer_inchikey': 'VBJZLOGJBQCFRJ-UHFFFAOYSA-N', 'standardize_inchikey': 'FGKJLKRYENPLQH-UHFFFAOYSA-N', 'inchikey': 'FGKJLKRYENPLQH-UHFFFAOYSA-N'} ```
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During compound standardization/registration, it can be helpful to preserve molecule identifiers for mapping synonyms or related molecules. This function mirrors the
super_parentfunction, but captures InChI identifiers at each sanitization step and assigns them as properties of the sanitized molecule (either InChI or InChI Key).