| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:22:24 UTC |
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| Update Date | 2025-03-21 18:37:33 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00116173 |
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| Frequency | 22.6 |
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| Structure | |
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| Chemical Formula | C9H9NO3 |
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| Molecular Mass | 179.0582 |
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| SMILES | Cc1ncc(CC=O)c(C=O)c1O |
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| InChI Key | KGJZORQAEHOHNM-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-halopyridinesalpha-hydrogen aldehydesaryl-aldehydesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspolyhalopyridinespyridine carboxaldehydesvinylogous acids |
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| Substituents | pyridine carboxylic acid or derivativescarbonyl grouparomatic heteromonocyclic compoundazacyclepolyhalopyridineheteroaromatic compoundhydroxypyridinealdehyde4-pyridine carboxaldehydevinylogous acidorganic oxidearyl-aldehydeorganic oxygen compoundalpha-hydrogen aldehydeorganonitrogen compoundorganopnictogen compoundhydrocarbon derivative2-halopyridineorganic nitrogen compoundorganooxygen compound |
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