| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:43:24 UTC |
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| Update Date | 2025-03-25 00:47:41 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02163338 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H5NO4 |
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| Molecular Mass | 167.0219 |
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| SMILES | O=C(O)C(=O)c1cccc[n+]1[O-] |
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| InChI Key | BZXHXYJFUSXGHY-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | carbonyl compounds |
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| Direct Parent | aryl ketones |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 2-halopyridinesalpha-keto acids and derivativesazacyclic compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | carboxylic acidaromatic heteromonocyclic compoundazacycleheteroaromatic compoundhydroxypyridinecarboxylic acid derivativeorganic oxidemonocarboxylic acid or derivativespyridineketo acidorganonitrogen compoundalpha-keto acidorganopnictogen compoundhydrocarbon derivative2-halopyridineorganic nitrogen compoundorganoheterocyclic compoundaryl ketone |
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