| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:26:30 UTC |
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| Update Date | 2025-03-21 18:39:28 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00125830 |
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| Frequency | 20.4 |
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| Structure | |
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| Chemical Formula | C8H9NO3 |
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| Molecular Mass | 167.0582 |
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| SMILES | COC(=O)c1ccnc(C)c1O |
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| InChI Key | CGKIHFWJFIWIKX-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 | pyridinecarboxylic acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 2-halopyridinesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmethyl estersmethylpyridinesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspolyhalopyridinesvinylogous acids |
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| Substituents | aromatic heteromonocyclic compoundazacyclepolyhalopyridineheteroaromatic compoundhydroxypyridinemethylpyridinecarboxylic acid derivativevinylogous acidorganic oxidemonocarboxylic acid or derivativesmethyl esterorganic oxygen compoundcarboxylic acid esterorganonitrogen compoundpyridine carboxylic acidorganopnictogen compoundhydrocarbon derivative2-halopyridineorganic nitrogen compoundorganooxygen compound |
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