| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 08:16:25 UTC |
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| Update Date | 2025-03-24 23:19:13 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01243465 |
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| Frequency | 1.1 |
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| Structure | |
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| Chemical Formula | C8H7NO |
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| Molecular Mass | 133.0528 |
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| SMILES | C=Cc1ccc(C=O)nc1 |
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| InChI Key | RBALNJXNUMVVNG-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 derivativesaromatic heteromonocyclic compoundazacyclepolyhalopyridineheteroaromatic compoundaldehydeorganic oxide2-pyridine carboxaldehydearyl-aldehydeorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivative2-halopyridineorganic nitrogen compoundorganooxygen compound |
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