| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:20:36 UTC |
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| Update Date | 2025-03-25 01:01:19 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02248480 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H2Cl2N2O3 |
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| Molecular Mass | 231.9442 |
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| SMILES | N#Cc1nc(C(=O)O)c(Cl)c(Cl)c1O |
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| InChI Key | ARPFQKMMOZOZAN-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-2-carboxylic acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 2-halopyridinesaryl chloridesazacyclic compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonocarboxylic acids and derivativesnitrilesorganic oxidesorganochloridesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspolyhalopyridinesvinylogous halides |
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| Substituents | nitrilecarboxylic acidaromatic heteromonocyclic compoundpolyhalopyridineorganochloridecarboxylic acid derivativeorganohalogen compoundorganic oxidepyridine-2-carboxylic acidorganonitrogen compoundorganopnictogen compound2-halopyridinecarbonitrilearyl chlorideazacycleheteroaromatic compoundhydroxypyridinevinylogous halidearyl halidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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