| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:22:09 UTC |
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| Update Date | 2025-03-21 18:37:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00115539 |
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| Frequency | 36.8 |
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| Structure | |
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| Chemical Formula | C6H4N4O3 |
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| Molecular Mass | 180.0283 |
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| SMILES | Nc1nc(=O)c2c([nH]1)NC(=O)C2=O |
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| InChI Key | QAQLYQDMCOFPSN-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 | amino acids and derivativesaryl ketonesazacyclic compoundscarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativeslactamsorganic oxidesorganopnictogen compoundsprimary aminespyrimidonespyrrolessecondary carboxylic acid amidesvinylogous amides |
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| Substituents | carbonyl grouplactamamino acid or derivativespyrimidonecarboxylic acid derivativepyrimidineketonepyrrolopyrimidineorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundvinylogous amideazacycleheteroaromatic compoundcarboxamide groupsecondary carboxylic acid amideorganic oxygen compoundpyrrolehydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compoundaryl ketone |
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