| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:20:50 UTC |
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| Update Date | 2025-03-21 18:36:47 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00112346 |
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| Frequency | 23.6 |
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| Structure | |
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| Chemical Formula | C6H5NO2 |
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| Molecular Mass | 123.032 |
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| SMILES | O=Cc1cccc(=O)[nH]1 |
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| InChI Key | KRZYMTAWRSVBPH-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 derivativeslactamsorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspyridine carboxaldehydespyridinones |
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| Substituents | pyridine carboxylic acid or derivativeslactamaromatic heteromonocyclic compoundazacycleheteroaromatic compoundaldehydeorganic oxide2-pyridine carboxaldehydearyl-aldehydeorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivative2-halopyridineorganic nitrogen compoundpyridinoneorganooxygen compound |
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