| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:26:07 UTC |
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| Update Date | 2025-03-25 00:41:32 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02123720 |
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| Frequency | 0.6 |
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| Structure | |
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| Chemical Formula | C6H6NO3- |
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| Molecular Mass | 140.0353 |
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| SMILES | COc1ccncc1O[O-] |
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| InChI Key | UPGDUYGSXBZSST-UHFFFAOYSA-M |
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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 | halopyridines |
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| Direct Parent | polyhalopyridines |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alkyl aryl ethersazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesmethylpyridinesorganic anionsorganic peroxidesorganic superoxidesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | etheraromatic heteromonocyclic compoundazacyclepolyhalopyridineheteroaromatic compoundmethylpyridinealkyl aryl etherorganic superoxideorganic oxideorganic anionorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganic peroxideorganooxygen compound |
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