| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:51:06 UTC |
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| Update Date | 2025-03-25 00:50:27 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02181054 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H18N2O9 |
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| Molecular Mass | 370.1012 |
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| SMILES | O=C(O)CC(NC(=O)c1ccc(=O)n(C2CC(O)C(CO)O2)c1)C(=O)O |
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| InChI Key | AKGSMVMCTUFELS-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 | aspartic acid and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alpha amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativeshydroxypyridineslactamsmonosaccharidesn-acyl-alpha amino acidsnicotinamidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsprimary alcoholspyridinecarboxylic acids and derivativespyridinonessecondary alcoholssecondary carboxylic acid amidestetrahydrofuransvinylogous amides |
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| Substituents | pyridine carboxylic acid or derivativescarbonyl grouplactamcarboxylic acidaromatic heteromonocyclic compoundnicotinamidemonosaccharidesaccharideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundprimary alcoholorganoheterocyclic compoundn-acyl-alpha amino acid or derivativesalcoholvinylogous amideazacyclen-acyl-alpha-amino acidtetrahydrofuranheteroaromatic compoundhydroxypyridinecarboxamide groupoxacyclesecondary carboxylic acid amidepyridineorganic oxygen compoundaspartic acid or derivativessecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundpyridinoneorganooxygen compound |
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