| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:40:29 UTC |
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| Update Date | 2025-03-25 00:46:43 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02156896 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H9ClN2O2 |
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| Molecular Mass | 248.0353 |
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| SMILES | O=C(O)c1cccnc1Nc1ccc(Cl)cc1 |
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| InChI Key | YEXIXVLEDGNAKM-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 | 2-halopyridinesamino acidsaryl chloridesazacyclic compoundscarboxylic acidschlorobenzenesheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesimidolactamsmonocarboxylic acids and derivativesorganic oxidesorganochloridesorganooxygen compoundsorganopnictogen compoundspolyhalopyridinessecondary aminesvinylogous amides |
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| Substituents | monocyclic benzene moietycarboxylic acidaromatic heteromonocyclic compoundamino acid or derivativesamino acidpyridine-3-carboxylic acidpolyhalopyridineorganochloridecarboxylic acid derivativeorganohalogen compoundorganic oxideorganonitrogen compoundorganopnictogen compound2-halopyridineimidolactamaryl chloridechlorobenzenevinylogous amideazacycleheteroaromatic compoundhydroxypyridinesecondary aminearyl halidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundhalobenzeneorganooxygen compoundamine |
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