| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:53:12 UTC |
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| Update Date | 2025-03-21 18:03:45 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00046236 |
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| Frequency | 72.6 |
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| Structure | |
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| Chemical Formula | C8H9NO3 |
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| Molecular Mass | 167.0582 |
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| SMILES | COc1ccnc(C=O)c1OC |
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| InChI Key | QBEYSYWMWVZVFG-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-halopyridinesalkyl aryl ethersaryl-aldehydesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesmethylpyridinesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspolyhalopyridinespyridine carboxaldehydes |
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| Substituents | pyridine carboxylic acid or derivativesetheraromatic heteromonocyclic compoundazacyclepolyhalopyridineheteroaromatic compoundaldehydemethylpyridinealkyl aryl etherorganic oxide2-pyridine carboxaldehydearyl-aldehydeorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivative2-halopyridineorganic nitrogen compoundorganooxygen compound |
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