| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:49:50 UTC |
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| Update Date | 2025-03-25 00:50:01 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02178167 |
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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 | COC(=O)c1c[nH]c2c(=O)[nH]c(=O)n(C)c12 |
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| InChI Key | DHOVGVJFPCGYMP-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 | azacyclic compoundsheteroaromatic compoundshydrocarbon derivativeslactamsmethyl estersmonocarboxylic acids and derivativesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspyrimidonespyrrole carboxylic acids and derivativesvinylogous amides |
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| Substituents | vinylogous amidecarbonic acid derivativelactamazacyclepyrrole-3-carboxylic acid or derivativesheteroaromatic compoundpyrimidonecarboxylic acid derivativepyrimidinepyrrolopyrimidineorganic oxidemonocarboxylic acid or derivativesmethyl esterorganic oxygen compoundaromatic heteropolycyclic compoundpyrrolecarboxylic acid esterorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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