| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:50:21 UTC |
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| Update Date | 2025-03-25 00:50:10 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02179314 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H12N2O2 |
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| Molecular Mass | 216.0899 |
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| SMILES | COc1ccc(C2CCC(=O)N2)cc1C#N |
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| InChI Key | KMFQUSBDZJIGNI-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | pyrrolidines |
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| Subclass | phenylpyrrolidines |
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| Direct Parent | phenylpyrrolidines |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alkyl aryl ethersanisolesazacyclic compoundsbenzonitrilescarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativeslactamsmethoxybenzenesnitrilesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenoxy compoundspyrrolespyrrolidine-2-onessecondary carboxylic acid amides |
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| Substituents | 2-pyrrolidonephenol ethermonocyclic benzene moietycarbonyl groupethernitrilelactamaromatic heteromonocyclic compoundalkyl aryl ethercarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compoundpyrrolidonecarbonitrileazacycle2-phenylpyrrolidinecarboxamide groupmethoxybenzenebenzonitrilesecondary carboxylic acid amideorganic oxygen compoundanisolepyrrolehydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundorganooxygen compound |
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