| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:53:44 UTC |
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| Update Date | 2025-03-25 00:51:27 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02187043 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H9N3O4 |
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| Molecular Mass | 223.0593 |
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| SMILES | CC(C(=O)O)n1ccc2c(=O)[nH]c(=O)[nH]c21 |
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| InChI Key | JLECNBCHLSVLBM-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 | alpha amino acids and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | azacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeslactamsmonocarboxylic acids and derivativesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrimidonespyrrolo[2,3-d]pyrimidinessubstituted pyrrolesvinylogous amides |
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| Substituents | carbonyl grouplactamcarboxylic acidpyrimidonealpha-amino acid or derivativessubstituted pyrrolepyrimidinepyrrolopyrimidineorganic oxidepyrrolo[2,3-d]pyrimidinearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundvinylogous amidecarbonic acid derivativeazacycleheteroaromatic compoundmonocarboxylic acid or derivativesorganic oxygen compoundpyrrolehydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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