| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:44:07 UTC |
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| Update Date | 2025-03-21 18:00:00 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00024567 |
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| Frequency | 158.4 |
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| Structure | |
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| Chemical Formula | C7H7N3O5 |
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| Molecular Mass | 213.0386 |
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| SMILES | O=C(O)CNC(=O)c1cc(=O)[nH]c(=O)[nH]1 |
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| InChI Key | KXUHDDGHQOKAAP-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 | carboxylic acids and derivatives |
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| Subclass | amino acids, peptides, and analogues |
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| Direct Parent | acyl glycines |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 2-heteroaryl carboxamidesalpha amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeslactamsmonocarboxylic acids and derivativesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrimidinecarboxylic acids and derivativespyrimidonessecondary carboxylic acid amidesvinylogous amides |
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| Substituents | carbonyl grouplactamcarboxylic acidaromatic heteromonocyclic compoundpyrimidone2-heteroaryl carboxamidepyrimidineorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundvinylogous amidecarbonic acid derivativeazacycleheteroaromatic compoundcarboxamide groupn-acylglycinesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundpyrimidine-6-carboxylic acid or derivativesorganooxygen compound |
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