| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:46:01 UTC |
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| Update Date | 2025-03-21 18:00:44 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00029042 |
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| Frequency | 129.1 |
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| Structure | |
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| Chemical Formula | C8H7NO4 |
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| Molecular Mass | 181.0375 |
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| SMILES | COC(=O)c1cccc(C(=O)O)n1 |
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| InChI Key | VWIOMFMPIVMLIR-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | pyridines and derivatives |
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| Subclass | pyridinecarboxylic acids and derivatives |
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| Direct Parent | pyridine-2-carboxylic acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 2-halopyridinesazacyclic compoundscarboxylic acidsdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmethyl estersmethylpyridinesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspolyhalopyridines |
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| Substituents | carboxylic acidaromatic heteromonocyclic compoundpolyhalopyridinecarboxylic acid derivativeorganic oxidepyridine-2-carboxylic acidmethyl esterorganonitrogen compoundorganopnictogen compound2-halopyridineazacycleheteroaromatic compoundhydroxypyridinemethylpyridineorganic oxygen compoundcarboxylic acid esterdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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