| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:06:48 UTC |
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| Update Date | 2025-03-21 18:29:37 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00078541 |
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| Frequency | 37.2 |
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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 | CC(=O)Nc1c(C(=O)O)[nH]c(=O)[nH]c1=O |
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| InChI Key | DMBDQASCLGLVDZ-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | diazines |
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| Subclass | pyrimidines and pyrimidine derivatives |
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| Direct Parent | pyrimidinecarboxylic acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | acetamidesazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeslactamsmonocarboxylic acids and derivativesn-acetylarylaminesorganic carbonic acids and derivativesorganic oxidesorganopnictogen compoundspyrimidonessecondary carboxylic acid amidesvinylogous amides |
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| Substituents | carbonyl grouplactamcarboxylic acidn-acetylarylaminearomatic heteromonocyclic compoundpyrimidonen-arylamidecarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compoundpyrimidine-6-carboxylic acidacetamidevinylogous amidecarbonic acid derivativeazacycleheteroaromatic compoundcarboxamide groupsecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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