| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:46:42 UTC |
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| Update Date | 2025-03-25 00:48:55 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02170884 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H9N5O3 |
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| Molecular Mass | 235.0705 |
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| SMILES | CNc1nc(=O)n(C)c2ncc(C(=O)O)nc12 |
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| InChI Key | BQDYGXDSFDPDQI-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 | pteridines and derivatives |
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| Subclass | pteridines and derivatives |
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| Direct Parent | pteridines and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | amino acidsazacyclic compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesimidolactamsmonocarboxylic acids and derivativesorganic carbonic acids and derivativesorganic oxidesorganooxygen compoundsorganopnictogen compoundspyrazine carboxylic acidspyrimidonessecondary alkylarylamines |
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| Substituents | carboxylic acidamino acid or derivativesamino acidpyrimidonepteridinecarboxylic acid derivativepyrimidineorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundimidolactamcarbonic acid derivativeazacycleheteroaromatic compoundsecondary aminesecondary aliphatic/aromatic aminemonocarboxylic acid or derivativesorganic oxygen compoundpyrazinepyrazine carboxylic acidpyrazine carboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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