| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:16:47 UTC |
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| Update Date | 2025-03-21 18:34:48 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00102468 |
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| Frequency | 26.6 |
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| Structure | |
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| Chemical Formula | C9H11NO3 |
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| Molecular Mass | 181.0739 |
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| SMILES | COc1c(C)ncc(C(=O)O)c1C |
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| InChI Key | PZYNCYSZGVMXOK-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 compoundspolyhalopyridines |
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| Substituents | ethercarboxylic acidaromatic heteromonocyclic compoundpyridine-3-carboxylic acidpolyhalopyridinealkyl aryl ethercarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compound1-carboxy-2-haloaromatic compound2-halopyridineazacycleheteroaromatic compoundhydroxypyridinemethylpyridinemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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