| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:00:37 UTC |
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| Update Date | 2025-03-21 18:06:32 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00063600 |
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| Frequency | 48.5 |
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| Structure | |
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| Chemical Formula | C7H9NO5 |
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| Molecular Mass | 187.0481 |
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| SMILES | O=C(O)C(O)C(=O)C1CCC(O)=N1 |
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| InChI Key | BNCZQQXUPYDZEX-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 compoundsacyloinsalpha hydroxy acids and derivativesazacyclic compoundsbeta-hydroxy ketonescarboxylic acidscyclic carboximidic acidshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundspyrrolinessecondary alcohols |
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| Substituents | beta-hydroxy ketonecarbonyl groupcarboxylic acidalpha-hydroxy acidmonosaccharidecarboxylic acid derivativebeta-keto acidpropargyl-type 1,3-dipolar organic compoundketonesaccharideorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundalcoholazacycleorganic 1,3-dipolar compoundhydroxy acidmonocarboxylic acid or derivativespyrrolineorganic oxygen compoundacyloinsecondary alcoholhydrocarbon derivativeorganic nitrogen compound1,3-dicarbonyl compoundcyclic carboximidic acidorganooxygen compound |
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