| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:43:28 UTC |
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| Update Date | 2025-03-25 00:47:42 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02163499 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H9NO7 |
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| Molecular Mass | 231.0379 |
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| SMILES | O=C(O)C(O)(C(=O)O)C(=O)C1CCC(O)=N1 |
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| InChI Key | MABUSISXZVJBPU-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 | acyloinsalpha hydroxy acids and derivativesazacyclic compoundsbeta-hydroxy ketonescarboxylic acidscyclic carboximidic acidsdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundspyrrolinestertiary alcohols |
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| Substituents | beta-hydroxy ketonecarbonyl groupcarboxylic acidalpha-hydroxy acidcarboxylic acid derivativebeta-keto acidpropargyl-type 1,3-dipolar organic compoundketoneorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundalcoholazacycleorganic 1,3-dipolar compoundhydroxy acidtertiary alcoholpyrrolineorganic oxygen compoundacyloindicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundcyclic carboximidic acidorganooxygen compound |
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