| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:28:37 UTC |
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| Update Date | 2025-03-21 18:40:43 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00130938 |
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| Frequency | 19.4 |
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| Structure | |
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| Chemical Formula | C9H13NO5 |
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| Molecular Mass | 215.0794 |
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| SMILES | NC(CC1=CC(=O)C(O)C(O)C1)C(=O)O |
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| InChI Key | SXPUNSQHXQANBQ-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 homomonocyclic compounds |
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| Alternative Parents | 1,2-diolscarboxylic acidscyclohexenoneshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary alcohols |
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| Substituents | alcoholcyclohexenonecarbonyl groupcarboxylic acidcyclic ketoneketoneorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganonitrogen compoundalpha-amino acidsecondary alcoholaliphatic homomonocyclic compoundorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound1,2-diol |
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