| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:01:30 UTC |
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| Update Date | 2025-03-21 18:06:53 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00065722 |
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| Frequency | 46.5 |
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| Structure | |
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| Chemical Formula | C9H13NO6 |
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| Molecular Mass | 231.0743 |
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| SMILES | O=C(O)CNC(=O)C1=CC(O)C(O)C(O)C1 |
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| InChI Key | QWKRKMXWQWXMTR-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 | acyl glycines |
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| Geometric Descriptor | aliphatic homomonocyclic compounds |
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| Alternative Parents | alpha amino acidscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary alcoholssecondary carboxylic acid amidesshikimic acids and derivatves |
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| Substituents | alcoholcarbonyl groupcarboxylic acidcyclitol or derivativescarboxamide groupn-acylglycineshikimic acid or derivativessecondary carboxylic acid amideorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganonitrogen compoundalpha-amino acidsecondary alcoholaliphatic homomonocyclic compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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