| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:43:04 UTC |
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| Update Date | 2025-03-25 00:47:34 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02162601 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H10N2O6 |
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| Molecular Mass | 254.0539 |
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| SMILES | O=C(O)CC(Nc1ccnc(C(=O)O)c1)C(=O)O |
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| InChI Key | IFEGCBRNZPRGGS-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-halopyridinesalpha amino acidsamino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesorganic oxidesorganopnictogen compoundspolyhalopyridinespyridine-2-carboxylic acidssecondary alkylarylaminestricarboxylic acids and derivatives |
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| Substituents | pyridine carboxylic acid or derivativescarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundamino acidpolyhalopyridinetricarboxylic acid or derivativesorganic oxidepyridine-2-carboxylic acidorganonitrogen compoundalpha-amino acidorganopnictogen compound2-halopyridineorganoheterocyclic compoundazacycleheteroaromatic compoundhydroxypyridinesecondary aminesecondary aliphatic/aromatic aminepyridineorganic oxygen compoundaspartic acid or derivativespyridine carboxylic acidhydrocarbon derivativeorganic nitrogen compoundamineorganooxygen compound |
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