| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:13:19 UTC |
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| Update Date | 2025-03-21 18:33:03 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00093971 |
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| Frequency | 29.6 |
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| Structure | |
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| Chemical Formula | C8H7N3O4 |
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| Molecular Mass | 209.0437 |
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| SMILES | Cn1c(=O)[nH]c(=O)c2[nH]cc(C(=O)O)c21 |
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| InChI Key | MSEFJKPHGVPMCV-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 | pyrrolopyrimidines |
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| Subclass | pyrrolopyrimidines |
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| Direct Parent | pyrrolopyrimidines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compoundsazacyclic compoundsheteroaromatic compoundshydrocarbon derivativeslactamsmonocarboxylic acids and derivativesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspyrimidonespyrrole carboxylic acidsvinylogous amides |
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| Substituents | lactamcarboxylic acidpyrrole-3-carboxylic acid or derivativespyrimidonecarboxylic acid derivativepyrimidinepyrrolopyrimidineorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compound1-carboxy-2-haloaromatic compoundvinylogous amidecarbonic acid derivativeazacycleheteroaromatic compoundmonocarboxylic acid or derivativesorganic oxygen compoundpyrrolehydrocarbon derivativeorganic nitrogen compoundpyrrole-3-carboxylic acidorganooxygen compound |
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