| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:41:07 UTC |
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| Update Date | 2025-03-25 00:46:55 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02158259 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H6ClNO4 |
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| Molecular Mass | 202.9985 |
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| SMILES | O=C(O)COc1nc(O)ccc1Cl |
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| InChI Key | CJWAXZOGEMDWJQ-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 | halopyridines |
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| Direct Parent | polyhalopyridines |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 2-halopyridinesalkyl aryl ethersaryl chloridesazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonocarboxylic acids and derivativesorganic oxidesorganochloridesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | carbonyl groupethercarboxylic acidaromatic heteromonocyclic compoundpolyhalopyridineorganochloridealkyl aryl ethercarboxylic acid derivativeorganohalogen compoundorganic oxideorganonitrogen compoundorganopnictogen compound2-halopyridinearyl chlorideazacycleheteroaromatic compoundhydroxypyridinearyl halidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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