| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:25:56 UTC |
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| Update Date | 2025-03-21 18:39:10 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00124489 |
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| Frequency | 20.7 |
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| Structure | |
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| Chemical Formula | C9H11N3O2 |
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| Molecular Mass | 193.0851 |
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| SMILES | CN1C(=O)CCC1c1cnc[n+]([O-])c1 |
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| InChI Key | RDTGUQBVHQJVDL-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 | diazines |
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| Subclass | pyrimidines and pyrimidine derivatives |
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| Direct Parent | pyrimidines and pyrimidine derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundscarbonyl compoundscarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativeslactamsn-alkylpyrrolidinesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrolidine-2-onestertiary carboxylic acid amides |
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| Substituents | 2-pyrrolidonecarbonyl grouplactamaromatic heteromonocyclic compoundazacyclen-alkylpyrrolidineheteroaromatic compoundcarboxamide groupcarboxylic acid derivativepyrimidineorganic oxideorganic oxygen compoundtertiary carboxylic acid amideorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundpyrrolidinepyrrolidoneorganooxygen compound |
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