| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:03 UTC |
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| Update Date | 2025-03-25 00:45:47 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02151235 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C5H5ClN2O2 |
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| Molecular Mass | 160.004 |
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| SMILES | Cn1cnc(Cl)c1C(=O)O |
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| InChI Key | VLDIILVESKLJFS-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 | azoles |
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| Subclass | imidazoles |
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| Direct Parent | carbonylimidazoles |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | aryl chloridesazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesimidazolesmonocarboxylic acids and derivativesn-substituted imidazolesorganic oxidesorganochloridesorganonitrogen compoundsorganopnictogen compoundsvinylogous halides |
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| Substituents | carbonyl groupcarboxylic acidaromatic heteromonocyclic compoundorganochloridecarboxylic acid derivativeorganohalogen compoundorganic oxideorganonitrogen compoundorganopnictogen compoundimidazole-4-carbonyl groupn-substituted imidazolearyl chlorideazacycleheteroaromatic compoundvinylogous halidearyl halidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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