| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 09:23:17 UTC |
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| Update Date | 2025-03-24 20:18:05 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01402651 |
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| Frequency | 0.9 |
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| Structure | |
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| Chemical Formula | C6H6N2O |
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| Molecular Mass | 122.048 |
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| SMILES | CC1=C(C#N)C(=O)NC1 |
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| InChI Key | AALOKJJBOZKMIL-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 | pyrrolines |
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| Subclass | pyrrolines |
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| Direct Parent | pyrrolines |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundscarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativeslactamsnitrilesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amides |
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| Substituents | carbonyl groupnitrilelactamazacyclecarboxamide groupcarboxylic acid derivativesecondary carboxylic acid amideorganic oxideorganic oxygen compoundpyrrolinealiphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundcarbonitrileorganooxygen compound |
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