| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:15:42 UTC |
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| Update Date | 2025-03-25 00:59:27 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02237163 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H15NO8 |
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| Molecular Mass | 277.0798 |
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| SMILES | O=C(NC(CO)C(=O)O)C1=CC(O)C(O)C(O)C1O |
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| InChI Key | NMCAQOWSKGGCMQ-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 | n-acyl-alpha amino acids |
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| Geometric Descriptor | aliphatic homomonocyclic compounds |
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| Alternative Parents | alpha amino acidsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsprimary alcoholssecondary alcoholssecondary carboxylic acid amidesserine and derivativesshikimic acids and derivatves |
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| Substituents | carbonyl groupcarboxylic acidbeta-hydroxy acidorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundprimary alcoholalcoholn-acyl-alpha-amino acidcyclitol or derivativeshydroxy acidcarboxamide groupshikimic acid or derivativessecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholaliphatic homomonocyclic compoundhydrocarbon derivativeorganic nitrogen compoundserine or derivativesorganooxygen compound |
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