| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:00:09 UTC |
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| Update Date | 2025-03-25 00:53:44 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02201617 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H7NO6 |
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| Molecular Mass | 225.0273 |
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| SMILES | Cc1c(C(=O)O)nc(C(=O)O)c(C=O)c1O |
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| InChI Key | PJEHIFWKDDCHSH-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 | 5-alkyl-2-carboxypyrimidines |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 2-halopyridinesaryl-aldehydesazacyclic compoundscarboxylic acidsdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspolyhalopyridinespyridine carboxaldehydesvinylogous acids |
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| Substituents | 5-alkyl-2-carboxypyrimidine3-pyridine carboxaldehydecarboxylic acidaromatic heteromonocyclic compoundpolyhalopyridinecarboxylic acid derivativeorganic oxidearyl-aldehydeorganonitrogen compoundorganopnictogen compound2-halopyridineazacycleheteroaromatic compoundhydroxypyridinealdehydevinylogous acidorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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