| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:09:47 UTC |
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| Update Date | 2025-03-21 18:31:23 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00085628 |
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| Frequency | 33.4 |
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| Structure | |
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| Chemical Formula | C7H7NO4 |
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| Molecular Mass | 169.0375 |
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| SMILES | COc1cc(O)c(C(=O)O)cn1 |
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| InChI Key | NWARLFONARUNLX-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-3-carboxylic acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compounds2-halopyridinesalkyl aryl ethersazacyclic compoundsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmethylpyridinesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspolyhalopyridinesvinylogous acids |
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| Substituents | ethercarboxylic acidaromatic heteromonocyclic compoundpyridine-3-carboxylic acidpolyhalopyridinealkyl aryl ethercarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compound1-carboxy-2-haloaromatic compound2-halopyridineazacycleheteroaromatic compoundhydroxypyridinemethylpyridinevinylogous acidmonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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