| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:02:34 UTC |
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| Update Date | 2025-03-25 00:54:33 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02207086 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H7N3O5 |
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| Molecular Mass | 237.0386 |
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| SMILES | O=C(O)C1=CC(=O)C(n2ccc(=O)[nH]c2=O)N1 |
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| InChI Key | JXEFBEFOYJRJCZ-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 |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | amino acidsazacyclic compoundscarboxylic acidscyclic ketonesdialkylaminesheteroaromatic compoundshydrocarbon derivativeslactamsmonocarboxylic acids and derivativesorganic carbonic acids and derivativesorganic oxidesorganopnictogen compoundspyrimidonespyrroline 2-carboxylic acidsvinylogous amides |
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| Substituents | carbonyl grouplactamcarboxylic acidaromatic heteromonocyclic compoundamino acidpyrimidonecyclic ketonepyrimidineketoneorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundvinylogous amidesecondary aliphatic aminecarbonic acid derivativeazacyclepyrroline carboxylic acid or derivativesheteroaromatic compoundsecondary aminepyrroline 2-carboxylic acidmonocarboxylic acid or derivativesorganic oxygen compoundpyrrolinepyrroline carboxylic acidhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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