| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:15:59 UTC |
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| Update Date | 2025-03-21 18:34:21 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00100438 |
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| Frequency | 27.3 |
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| Structure | |
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| Chemical Formula | C23H37N5O9 |
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| Molecular Mass | 527.2591 |
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| SMILES | NC(CCCc1c(CCC(N)C(=O)O)c[n+]([O-])c(CCCC(N)C(=O)O)c1CCC(N)C(=O)O)C(=O)O |
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| InChI Key | XSFYTLOPADQJRO-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 | tetracarboxylic acids and derivatives |
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| Direct Parent | tetracarboxylic acids and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 2-halopyridinesalpha amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspolyhalopyridines |
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| Substituents | carbonyl groupcarboxylic acidaromatic heteromonocyclic compoundazacyclepolyhalopyridineheteroaromatic compoundhydroxypyridinetetracarboxylic acid or derivativesalpha-amino acid or derivativesorganic oxidepyridineorganic oxygen compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amine2-halopyridineorganic nitrogen compoundorganoheterocyclic compoundorganooxygen compound |
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