| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 10:31:55 UTC |
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| Update Date | 2025-03-24 20:47:41 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01567225 |
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| Frequency | 0.8 |
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| Structure | |
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| Chemical Formula | C4H6N4O |
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| Molecular Mass | 126.0542 |
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| SMILES | NC(=O)Cc1c[nH]nn1 |
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| InChI Key | PFNOXNBSXVMIAI-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 | triazoles |
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| Direct Parent | triazoles |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundscarbonyl compoundscarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsprimary carboxylic acid amides |
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| Substituents | primary carboxylic acid amidetriazolecarbonyl grouparomatic heteromonocyclic compoundazacycleheteroaromatic compoundcarboxamide groupcarboxylic acid derivativeorganic oxideorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compound1,2,3-triazoleorganooxygen compound |
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