| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:43:36 UTC |
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| Update Date | 2025-03-21 17:59:48 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00023367 |
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| Frequency | 176.4 |
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| Structure | |
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| Chemical Formula | C6H9NO4 |
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| Molecular Mass | 159.0532 |
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| SMILES | O=C(O)CN=C(O)C=CCO |
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| InChI Key | YALLGLULDSRVRU-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 | carboxylic acids and derivatives |
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| Subclass | amino acids, peptides, and analogues |
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| Direct Parent | alpha amino acids |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | carbonyl compoundscarboximidic acidscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsprimary alcoholspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | alcoholaliphatic acyclic compoundcarboximidic acidcarbonyl groupcarboxylic acidorganic 1,3-dipolar compoundpropargyl-type 1,3-dipolar organic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundprimary alcoholorganooxygen compound |
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