| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:57:58 UTC |
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| Update Date | 2025-03-21 18:05:31 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00057324 |
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| Frequency | 55.4 |
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| Structure | |
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| Chemical Formula | C12H12N2O |
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| Molecular Mass | 200.095 |
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| SMILES | CN1C(=O)CCC1c1ccc(C#N)cc1 |
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| InChI Key | BJGWYLBGOYKHJL-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 | azacyclic compoundsbenzonitrilescarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativeslactamsn-alkylpyrrolidinesnitrilesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrolespyrrolidine-2-onestertiary carboxylic acid amides |
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| Substituents | 2-pyrrolidonemonocyclic benzene moietycarbonyl groupnitrilelactamaromatic heteromonocyclic compoundcarboxylic acid derivativeorganic oxidetertiary carboxylic acid amideorganonitrogen compoundorganopnictogen compoundpyrrolidonecarbonitrileazacyclen-alkylpyrrolidine2-phenylpyrrolidinecarboxamide groupbenzonitrileorganic oxygen compoundpyrrolehydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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