| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:15:40 UTC |
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| Update Date | 2025-03-21 18:34:12 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00099647 |
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| Frequency | 27.5 |
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| Structure | |
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| Chemical Formula | C9H9NO3 |
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| Molecular Mass | 179.0582 |
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| SMILES | CC(=O)c1cnc(C)c(O)c1C=O |
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| InChI Key | VNOJYPQVXYSXFM-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 and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 2-halopyridinesaryl alkyl ketonesaryl-aldehydesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmethylpyridinesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspolyhalopyridinespyridine carboxaldehydesvinylogous acids |
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| Substituents | pyridine carboxylic acid or derivativesaryl alkyl ketonearomatic heteromonocyclic compoundpolyhalopyridineketoneorganic oxidearyl-aldehydeorganonitrogen compoundorganopnictogen compound2-halopyridineazacycleheteroaromatic compoundhydroxypyridinealdehydemethylpyridine4-pyridine carboxaldehydevinylogous acidorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundaryl ketone |
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