| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:47:07 UTC |
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| Update Date | 2025-03-21 18:01:13 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00031622 |
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| Frequency | 175.4 |
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| Structure | |
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| Chemical Formula | C8H11N3O |
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| Molecular Mass | 165.0902 |
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| SMILES | CN1C(=O)CCC1c1cnc[nH]1 |
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| InChI Key | BWQASVPTQLXAAF-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 derivativesimidazoleslactamsn-alkylpyrrolidinesorganic oxidesorganonitrogen compoundsorganopnictogen compoundstertiary carboxylic acid amides |
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| Substituents | 2-pyrrolidonecarbonyl grouplactamaromatic heteromonocyclic compoundazacyclen-alkylpyrrolidineheteroaromatic compoundcarboxamide groupcarboxylic acid derivativeorganic oxideorganic oxygen compoundimidazoletertiary carboxylic acid amideorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundazole |
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