| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:22:19 UTC |
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| Update Date | 2025-03-21 18:37:29 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00115968 |
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| Frequency | 22.7 |
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| Structure | |
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| Chemical Formula | C7H7N3O3 |
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| Molecular Mass | 181.0487 |
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| SMILES | CN1C(=O)C(=O)c2[nH]c(=O)n(C)c21 |
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| InChI Key | XGOCIHGRMZCLIE-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | carbonyl compounds |
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| Direct Parent | aryl ketones |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | azacyclic compoundscarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesimidazoleslactamsn-substituted imidazolesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundstertiary carboxylic acid amidesvinylogous amides |
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| Substituents | vinylogous amidecarbonic acid derivativelactamazacycleheteroaromatic compoundcarboxamide groupcarboxylic acid derivativeorganic oxidearomatic heteropolycyclic compoundimidazoletertiary carboxylic acid amideorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganoheterocyclic compoundaryl ketoneazolen-substituted imidazole |
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