| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 07:01:34 UTC |
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| Update Date | 2025-03-24 19:51:35 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01061269 |
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| Frequency | 1.3 |
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| Structure | |
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| Chemical Formula | C8H9NO |
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| Molecular Mass | 135.0684 |
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| SMILES | Cc1ccc(C=O)c(C)n1 |
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| InChI Key | XTCAIKSFUUMBTP-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 derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspolyhalopyridinespyridine carboxaldehydes |
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| Substituents | pyridine carboxylic acid or derivatives3-pyridine carboxaldehydearomatic heteromonocyclic compoundazacyclepolyhalopyridineheteroaromatic compoundaldehydeorganic oxidearyl-aldehydeorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivative2-halopyridineorganic nitrogen compoundorganooxygen compound |
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