| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 08:31:33 UTC |
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| Update Date | 2025-03-25 00:19:22 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01279692 |
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| Frequency | 1.0 |
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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 | CCc1cc(C(N)=O)[nH]n1 |
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| InChI Key | ILMFQVLABCULLJ-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | carboxylic acid derivatives |
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| Direct Parent | 2-heteroaryl carboxamides |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundscarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsprimary carboxylic acid amidespyrazoles |
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| Substituents | primary carboxylic acid amidearomatic heteromonocyclic compoundazacycleheteroaromatic compound2-heteroaryl carboxamidepyrazoleorganic oxideorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganoheterocyclic compoundorganooxygen compoundazole |
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