| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:02:18 UTC |
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| Update Date | 2025-03-25 00:54:28 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02206498 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C22H34N3O9+ |
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| Molecular Mass | 484.229 |
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| SMILES | NC(CCCC[n+]1cc(CCC(N)C(=O)O)c(CCC(=O)O)c(CCC(O)C(=O)O)c1)C(=O)O |
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| InChI Key | FFSDPMAWSKKDHS-UHFFFAOYSA-O |
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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 | alpha amino acidsalpha hydroxy acids and derivativesazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonoalkylaminesmonosaccharidesorganic cationsorganic oxidesorganonitrogen compoundsorganopnictogen compoundspolyhalopyridinessecondary alcohols |
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| Substituents | carbonyl groupcarboxylic acidaromatic heteromonocyclic compoundpolyhalopyridinealpha-hydroxy acidmonosaccharidealpha-amino acid or derivativessaccharideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganic cationorganoheterocyclic compoundalcoholazacycleheteroaromatic compoundhydroxypyridinetetracarboxylic acid or derivativeshydroxy acidpyridineorganic oxygen compoundsecondary alcoholhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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