| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:17:18 UTC |
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| Update Date | 2025-03-21 18:35:04 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00103728 |
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| Frequency | 26.2 |
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| Structure | |
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| Chemical Formula | C7H7NO5 |
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| Molecular Mass | 185.0324 |
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| SMILES | O=C(O)C(=O)C(=O)C1CCC(O)=N1 |
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| InChI Key | ZWIJUZQCUBDNDK-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | keto acids and derivatives |
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| Subclass | beta-keto acids and derivatives |
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| Direct Parent | beta-keto acids and derivatives |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | alpha-diketonesalpha-hydroxy ketonesalpha-keto acids and derivativesazacyclic compoundsbeta-hydroxy ketonescarboxylic acidscyclic carboximidic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundspyrrolines |
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| Substituents | beta-hydroxy ketonecarbonyl groupcarboxylic acidalpha-hydroxy ketonecarboxylic acid derivativebeta-keto acidpropargyl-type 1,3-dipolar organic compoundketoneorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-keto acidorganopnictogen compoundorganoheterocyclic compoundazacycleorganic 1,3-dipolar compoundalpha-diketonemonocarboxylic acid or derivativespyrrolineorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundcyclic carboximidic acidorganooxygen compound |
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