| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:03:17 UTC |
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| Update Date | 2025-03-21 18:28:08 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00070011 |
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| Frequency | 43.0 |
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| Structure | |
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| Chemical Formula | C11H10N2O |
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| Molecular Mass | 186.0793 |
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| SMILES | N#Cc1ccc(C2CCC(=O)N2)cc1 |
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| InChI Key | YAFOOFJZFRODSJ-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 derivativeslactamsnitrilesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrolespyrrolidine-2-onessecondary carboxylic acid amides |
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| Substituents | 2-pyrrolidonemonocyclic benzene moietycarbonyl groupnitrilelactamaromatic heteromonocyclic compoundcarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compoundpyrrolidonecarbonitrileazacycle2-phenylpyrrolidinecarboxamide groupbenzonitrilesecondary carboxylic acid amideorganic oxygen compoundpyrrolehydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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