| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:36 UTC |
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| Update Date | 2025-03-25 00:45:59 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02152530 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H15N5O4 |
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| Molecular Mass | 305.1124 |
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| SMILES | N=c1[nH]c(=O)c2c(CC(=O)NC3C=CC(O)C3O)c[nH]c2[nH]1 |
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| InChI Key | KIRFYXJDBVEEGX-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 | pyrrolo[2,3-d]pyrimidines |
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| Direct Parent | pyrrolo[2,3-d]pyrimidines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1,2-diolsazacyclic compoundscarbonyl compoundscarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativeslactamsorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrimidonespyrrolessecondary alcoholssecondary carboxylic acid amidesvinylogous amides |
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| Substituents | carbonyl grouplactampyrimidonecarboxylic acid derivativepyrimidineorganic oxidepyrrolo[2,3-d]pyrimidinearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compound1,2-diolalcoholvinylogous amideazacycleheteroaromatic compoundcarboxamide groupsecondary carboxylic acid amideorganic oxygen compoundpyrrolesecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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