| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:05:23 UTC |
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| Update Date | 2025-03-25 00:34:02 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02074837 |
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| Frequency | 0.6 |
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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)c1ccn[nH]1 |
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| InChI Key | FJJHCHDRTIOFJE-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 compoundsheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrazolessecondary alcohols |
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| Substituents | alcoholaryl alkyl ketonearomatic heteromonocyclic compoundazacycleheteroaromatic compoundpyrazoleorganic oxideacyloinorganonitrogen compoundsecondary alcoholorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganoheterocyclic compoundazole |
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