| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 02:00:54 UTC |
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| Update Date | 2025-03-21 20:10:46 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00345111 |
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| Frequency | 5.5 |
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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=Cc1cc[nH]c(=O)c1 |
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| InChI Key | IDDXMCNSHNXTRS-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 | aryl-aldehydesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativeslactamsorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspyridine carboxaldehydespyridinones |
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| Substituents | pyridine carboxylic acid or derivativeslactamaromatic heteromonocyclic compoundazacycleheteroaromatic compoundaldehyde4-pyridine carboxaldehydeorganic oxidearyl-aldehydeorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundpyridinoneorganooxygen compound |
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