| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:56:48 UTC |
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| Update Date | 2025-03-25 00:52:28 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02193904 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H13NO |
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| Molecular Mass | 163.0997 |
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| SMILES | CCc1cc(C)c(C=O)c(C)n1 |
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| InChI Key | IGIMFNJIPPNNTC-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-aldehydesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesmethylpyridinesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspolyhalopyridinespyridine carboxaldehydes |
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| Substituents | pyridine carboxylic acid or derivatives3-pyridine carboxaldehydearomatic heteromonocyclic compoundazacyclepolyhalopyridineheteroaromatic compoundaldehydemethylpyridineorganic oxidearyl-aldehydeorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivative2-halopyridineorganic nitrogen compoundorganooxygen compound |
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