| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:56:59 UTC |
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| Update Date | 2025-03-25 00:52:31 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02194303 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H11N3O |
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| Molecular Mass | 189.0902 |
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| SMILES | CN1C(=O)CCC1c1cc(C#N)c[nH]1 |
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| InChI Key | WDVAVODLSBCMEQ-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 | pyrrolidones |
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| Direct Parent | pyrrolidine-2-ones |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundscarbonyl compoundscarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativeslactamsn-alkylpyrrolidinesnitrilesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrolestertiary carboxylic acid amides |
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| Substituents | 2-pyrrolidonecarbonyl groupnitrilelactamaromatic heteromonocyclic compoundazacyclen-alkylpyrrolidineheteroaromatic compoundcarboxamide groupcarboxylic acid derivativeorganic oxideorganic oxygen compoundtertiary carboxylic acid amidepyrroleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundcarbonitrileorganooxygen compound |
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