| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:23:15 UTC |
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| Update Date | 2025-03-21 18:37:58 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00118250 |
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| Frequency | 31.8 |
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| Structure | |
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| Chemical Formula | C6H8N2O2 |
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| Molecular Mass | 140.0586 |
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| SMILES | CC(O)C(=O)c1c[nH]cn1 |
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| InChI Key | HMQQOBXTZAKPPN-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 alkyl ketones |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | acyloinsazacyclic compoundscarbonylimidazolesheteroaromatic compoundshydrocarbon derivativesimidazolesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary alcoholsvinylogous amides |
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| Substituents | alcoholvinylogous amidearyl alkyl ketonearomatic heteromonocyclic compoundazacycleheteroaromatic compoundorganic oxideimidazoleacyloinorganonitrogen compoundsecondary alcoholorganopnictogen compoundhydrocarbon derivativeimidazole-4-carbonyl grouporganic nitrogen compoundorganoheterocyclic compoundazole |
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