| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:20:59 UTC |
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| Update Date | 2025-03-21 18:36:51 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00112704 |
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| Frequency | 36.7 |
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| Structure | |
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| Chemical Formula | C6H6N2O3 |
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| Molecular Mass | 154.0378 |
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| SMILES | O=C(O)CC(=O)c1c[nH]cn1 |
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| InChI Key | SZJBFCKWEQXRBD-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 | azacyclic compoundsbeta-hydroxy ketonesbeta-keto acids and derivativescarbonylimidazolescarboxylic acidsheteroaromatic compoundshydrocarbon derivativesimidazolesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsvinylogous amides |
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| Substituents | beta-hydroxy ketonecarboxylic acidaryl alkyl ketonearomatic heteromonocyclic compoundcarboxylic acid derivativebeta-keto acidorganic oxideimidazoleorganonitrogen compoundorganopnictogen compoundimidazole-4-carbonyl grouporganoheterocyclic compoundazolevinylogous amideazacycleheteroaromatic compoundmonocarboxylic acid or derivativesketo acidhydrocarbon derivativeorganic nitrogen compound |
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