| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:46:58 UTC |
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| Update Date | 2025-03-25 00:49:02 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02171511 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H14N2O2 |
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| Molecular Mass | 218.1055 |
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| SMILES | CN(C)CCOC(=O)c1ccc(C#N)cc1 |
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| InChI Key | PHFXXTHKRRMZJG-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | benzoic acids and derivatives |
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| Direct Parent | benzoic acid esters |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | amino acids and derivativesbenzonitrilesbenzoyl derivativescarboxylic acid estershydrocarbon derivativesmonocarboxylic acids and derivativesnitrilesorganic oxidesorganooxygen compoundsorganopnictogen compoundstrialkylamines |
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| Substituents | nitrileamino acid or derivativestertiary aliphatic aminebenzoylbenzoate estercarboxylic acid derivativebenzonitrilearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundaminecarbonitriletertiary amineorganooxygen compound |
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