| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:16:38 UTC |
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| Update Date | 2025-03-21 18:34:42 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00102072 |
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| Frequency | 26.7 |
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| Structure | |
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| Chemical Formula | C8H11NO4 |
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| Molecular Mass | 185.0688 |
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| SMILES | CC(C(=O)O)C(=O)C1CCC(O)=N1 |
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| InChI Key | YMYSTOQGSSNWMD-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 | 1,3-dicarbonyl compoundsazacyclic 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 acidazacycleorganic 1,3-dipolar compoundcarboxylic acid derivativebeta-keto acidpropargyl-type 1,3-dipolar organic compoundketoneorganic oxidemonocarboxylic acid or derivativespyrrolineorganic oxygen compoundaliphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compound1,3-dicarbonyl compoundcyclic carboximidic acidorganoheterocyclic compoundorganooxygen compound |
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