| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 11:40:47 UTC |
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| Update Date | 2025-03-24 21:17:27 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01732190 |
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| Frequency | 0.7 |
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| Structure | |
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| Chemical Formula | C6H9N3O |
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| Molecular Mass | 139.0746 |
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| SMILES | CCC(=O)Nc1ccn[nH]1 |
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| InChI Key | QIBIGUGPIYLCMX-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic nitrogen compounds |
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| Class | organonitrogen compounds |
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| Subclass | n-arylamides |
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| Direct Parent | n-arylamides |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundscarbonyl compoundscarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganopnictogen compoundspyrazolessecondary carboxylic acid amides |
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| Substituents | carbonyl grouparomatic heteromonocyclic compoundazacycleheteroaromatic compoundn-arylamidecarboxamide groupcarboxylic acid derivativepyrazolesecondary carboxylic acid amideorganic oxideorganic oxygen compoundorganopnictogen compoundhydrocarbon derivativeorganoheterocyclic compoundorganooxygen compoundazole |
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