| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:44:58 UTC |
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| Update Date | 2025-03-21 18:00:19 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00026609 |
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| Frequency | 167.8 |
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| Structure | |
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| Chemical Formula | C7H7NO3 |
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| Molecular Mass | 153.0426 |
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| SMILES | Cc1c[nH]c(=O)c(C(=O)O)c1 |
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| InChI Key | XPFTYBICSCXZSW-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 | pyridine-3-carboxylic acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridineslactamsmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspolyhalopyridinespyridinonesvinylogous amides |
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| Substituents | vinylogous amidelactamcarboxylic acidaromatic heteromonocyclic compoundazacyclepyridine-3-carboxylic acidpolyhalopyridineheteroaromatic compoundhydroxypyridinecarboxylic acid derivativeorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundpyridinoneorganooxygen compound |
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