| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:54:10 UTC |
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| Update Date | 2025-03-25 00:51:35 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02188025 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H8ClN3O |
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| Molecular Mass | 209.0356 |
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| SMILES | CC(=O)Nc1cc2[nH]cnc2cc1Cl |
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| InChI Key | IYZJUMIQMIBRRB-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 | benzimidazoles |
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| Subclass | benzimidazoles |
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| Direct Parent | benzimidazoles |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | acetamidesaryl chloridesazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesimidazolesn-acetylarylaminesorganic oxidesorganochloridesorganopnictogen compoundssecondary carboxylic acid amides |
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| Substituents | carbonyl groupn-acetylarylamineorganochloriden-arylamidecarboxylic acid derivativeorganohalogen compoundorganic oxidearomatic heteropolycyclic compoundbenzimidazoleimidazoleorganonitrogen compoundorganopnictogen compoundacetamideazolearyl chlorideazacycleheteroaromatic compoundcarboxamide grouparyl halidesecondary carboxylic acid amideorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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