| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:30:43 UTC |
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| Update Date | 2025-03-21 18:41:42 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00135680 |
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| Frequency | 18.5 |
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| Structure | |
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| Chemical Formula | C6H7NO4 |
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| Molecular Mass | 157.0375 |
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| SMILES | O=C=NCCCC(=O)C(=O)O |
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| InChI Key | YIOIPYGMJHRFEF-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 | short-chain keto acids and derivatives |
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| Direct Parent | short-chain keto acids and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alpha-hydroxy ketonesalpha-keto acids and derivativescarboxylic acidshydrocarbon derivativesisocyanatesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidisocyanateshort-chain keto acidorganic 1,3-dipolar compoundalpha-hydroxy ketonecarboxylic acid derivativepropargyl-type 1,3-dipolar organic compoundketoneorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganonitrogen compoundalpha-keto acidorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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