| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:05:18 UTC |
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| Update Date | 2025-03-21 18:28:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00074856 |
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| Frequency | 55.1 |
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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 | COc1cnc(C(=O)O)cc1O |
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| InChI Key | ASXFTGFWMQJKMS-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 | 5-alkoxy-2-carboxypyrimidines |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 2-halopyridinesalkyl aryl ethersazacyclic compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmethylpyridinesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspolyhalopyridines |
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| Substituents | ethercarboxylic acidaromatic heteromonocyclic compoundpolyhalopyridinealkyl aryl ethercarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compound2-halopyridine5-alkoxy-2-carboxypyrimidineazacycleheteroaromatic compoundhydroxypyridinemethylpyridinemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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