| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:00:15 UTC |
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| Update Date | 2025-03-21 18:06:22 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00062752 |
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| Frequency | 49.3 |
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| Structure | |
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| Chemical Formula | C6H6N2O5 |
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| Molecular Mass | 186.0277 |
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| SMILES | O=C(O)CC1C(=O)NC(=O)NC1=O |
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| InChI Key | UYHKKXHMQFAOBG-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 | diazines |
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| Subclass | pyrimidines and pyrimidine derivatives |
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| Direct Parent | barbituric acid derivatives |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | 1,3-dicarbonyl compoundsazacyclic compoundscarboxylic acidsdiazinanesdicarboximideshydrocarbon derivativesmonocarboxylic acids and derivativesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | carbonyl groupcarbonic acid derivativecarboxylic acidazacyclebarbituratecarboxylic acid derivative1,3-diazinaneorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundaliphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativedicarboximideorganic nitrogen compound1,3-dicarbonyl compoundorganooxygen compound |
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