| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:41:27 UTC |
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| Update Date | 2025-03-21 17:59:04 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00018558 |
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| Frequency | 222.8 |
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| Structure | |
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| Chemical Formula | C9H9NO4 |
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| Molecular Mass | 195.0532 |
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| SMILES | Cc1ncc(CC(=O)O)c(C=O)c1O |
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| InChI Key | ABLMCYWTGYHLRK-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-halopyridinesaryl-aldehydesazacyclic compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspolyhalopyridinespyridine carboxaldehydesvinylogous acids |
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| Substituents | pyridine carboxylic acid or derivativescarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundpolyhalopyridinecarboxylic acid derivativeorganic oxidearyl-aldehydeorganonitrogen compoundorganopnictogen compound2-halopyridineazacycleheteroaromatic compoundhydroxypyridinealdehyde4-pyridine carboxaldehydevinylogous acidmonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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