| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:43:26 UTC |
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| Update Date | 2025-03-25 00:47:41 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02163431 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H13NO7 |
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| Molecular Mass | 283.0692 |
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| SMILES | O=C(O)C(=O)CC(O)CCn1ccc(=O)cc1C(=O)O |
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| InChI Key | VHSMCDRXTLSALR-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 | keto acids and derivatives |
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| Subclass | medium-chain keto acids and derivatives |
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| Direct Parent | medium-chain keto acids and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 2-halopyridinesalpha-hydroxy ketonesalpha-keto acids and derivativesamino fatty acidsazacyclic compoundsbeta-hydroxy ketonescarboxylic acidscyclic ketonesdicarboxylic acids and derivativesfatty acylsheteroaromatic compoundsheterocyclic fatty acidshydrocarbon derivativeshydroxy fatty acidshydroxypyridinesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyridine-2-carboxylic acidssecondary alcoholsvinylogous amides |
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| Substituents | pyridine carboxylic acid or derivativesfatty acylbeta-hydroxy ketonecarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundheterocyclic fatty acidcyclic ketonealpha-hydroxy ketonecarboxylic acid derivativeketoneorganic oxidepyridine-2-carboxylic acidorganonitrogen compoundalpha-keto acidorganopnictogen compoundhydroxy fatty acid2-halopyridineorganoheterocyclic compoundalcoholvinylogous amideazacycleheteroaromatic compoundhydroxypyridineamino fatty acidpyridineorganic oxygen compoundpyridine carboxylic acidsecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundmedium-chain keto acid |
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