| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:15 UTC |
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| Update Date | 2025-03-25 00:45:51 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02151719 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C6H7N3O3 |
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| Molecular Mass | 169.0487 |
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| SMILES | Cn1cnnc1CC(=O)C(=O)O |
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| InChI Key | SMHDZVHMKSNDSQ-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | keto acids and derivatives |
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| Subclass | alpha-keto acids and derivatives |
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| Direct Parent | alpha-keto acids and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alpha-hydroxy ketonesazacyclic compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundstriazoles |
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| Substituents | triazolecarbonyl groupcarboxylic acidaromatic heteromonocyclic compound1,2,4-triazoleazacycleheteroaromatic compoundalpha-hydroxy ketonecarboxylic acid derivativeketoneorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganonitrogen compoundalpha-keto acidorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganoheterocyclic compoundorganooxygen compoundazole |
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