| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:45:17 UTC |
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| Update Date | 2025-03-25 00:48:21 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02167705 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H20N2O7 |
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| Molecular Mass | 340.1271 |
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| SMILES | CC(C)c1c(C(=O)NC(CC(=O)O)C(=O)O)ccc(=O)n1CCO |
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| InChI Key | SBPICBZKMZRKRP-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 | 2-halopyridinesalcohols and polyolsalpha amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativeshydroxypyridineslactamsmethylpyridinesn-acyl-alpha amino acidsnicotinamidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspolyhalopyridinespyridinecarboxylic acids and derivativespyridinonessecondary carboxylic acid amidesvinylogous amides |
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| Substituents | pyridine carboxylic acid or derivativescarbonyl grouplactamcarboxylic acidaromatic heteromonocyclic compoundpolyhalopyridinenicotinamideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compound2-halopyridineorganoheterocyclic compoundn-acyl-alpha amino acid or derivativesalcoholvinylogous amideazacyclen-acyl-alpha-amino acidheteroaromatic compoundhydroxypyridinemethylpyridinecarboxamide groupsecondary carboxylic acid amidepyridineorganic oxygen compoundaspartic acid or derivativesdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundpyridinoneorganooxygen compound |
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