| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:51:07 UTC |
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| Update Date | 2025-03-25 00:50:27 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02181069 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H15NO7 |
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| Molecular Mass | 285.0849 |
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| SMILES | O=C(O)CC(O)CC(O)Cn1cc(C(=O)O)ccc1=O |
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| InChI Key | WGNFTESTKVVSJK-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 | hydroxy acids and derivatives |
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| Subclass | medium-chain hydroxy acids and derivatives |
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| Direct Parent | medium-chain hydroxy acids and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | amino fatty acidsazacyclic compoundsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesheteroaromatic compoundsheterocyclic fatty acidshydrocarbon derivativeshydroxy fatty acidshydroxypyridineslactamsmedium-chain fatty acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyridine-3-carboxylic acidspyridinonessecondary alcoholsvinylogous amides |
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| Substituents | pyridine carboxylic acid or derivativesfatty acylcarbonyl grouplactamcarboxylic acidaromatic heteromonocyclic compoundheterocyclic fatty acidpyridine-3-carboxylic acidfatty acidcarboxylic acid derivativemedium-chain hydroxy acidbeta-hydroxy acidorganic oxideorganonitrogen compoundorganopnictogen compoundmedium-chain fatty acidhydroxy fatty acidorganoheterocyclic compoundalcoholvinylogous amideazacycleheteroaromatic compoundhydroxypyridineamino fatty acidpyridineorganic oxygen compoundpyridine carboxylic acidsecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundpyridinoneorganooxygen compound |
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