| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:44:49 UTC |
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| Update Date | 2025-03-25 00:48:11 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02166636 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H17ClN4O2 |
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| Molecular Mass | 320.104 |
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| SMILES | CC(=O)NCCC(=O)c1c(Nc2ccc(Cl)cc2)ncn1C |
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| InChI Key | WKDPBVMIXUPSHY-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | carbonyl compounds |
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| Direct Parent | aryl alkyl ketones |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | acetamidesamino acids and derivativesaryl chloridesazacyclic compoundscarbonylimidazolescarboxylic acids and derivativeschlorobenzenesheteroaromatic compoundshydrocarbon derivativesimidazolesimidolactamsn-substituted imidazolesorganic oxidesorganochloridesorganopnictogen compoundssecondary aminessecondary carboxylic acid amidesvinylogous amides |
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| Substituents | monocyclic benzene moietyaryl alkyl ketonearomatic heteromonocyclic compoundamino acid or derivativesorganochloridecarboxylic acid derivativeorganohalogen compoundorganic oxideimidazoleorganonitrogen compoundorganopnictogen compoundimidazole-4-carbonyl groupimidolactamorganoheterocyclic compoundacetamideazolen-substituted imidazolearyl chloridechlorobenzenevinylogous amideazacycleheteroaromatic compoundsecondary aminecarboxamide grouparyl halidesecondary carboxylic acid amidehydrocarbon derivativebenzenoidorganic nitrogen compoundhalobenzeneamine |
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