| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:58:13 UTC |
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| Update Date | 2025-03-21 18:54:33 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00200099 |
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| Frequency | 19.1 |
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| Structure | |
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| Chemical Formula | C5H6N2O2 |
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| Molecular Mass | 126.0429 |
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| SMILES | O=C(CO)c1c[nH]cn1 |
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| InChI Key | LMKDGPXSJCFWSI-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 | alcohols and polyolsazacyclic compoundscarbonylimidazolesheteroaromatic compoundshydrocarbon derivativesimidazolesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsvinylogous amides |
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| Substituents | alcoholvinylogous amidearyl alkyl ketonearomatic heteromonocyclic compoundazacycleheteroaromatic compoundorganic oxideimidazoleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeimidazole-4-carbonyl grouporganic nitrogen compoundorganoheterocyclic compoundazole |
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