| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 02:07:41 UTC |
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| Update Date | 2025-03-21 20:47:57 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00361200 |
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| Frequency | 5.2 |
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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 | Cn1cc(C(N)=O)nn1 |
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| InChI Key | ZACLJEAVAAOZCX-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 | triazole carboxylic acids and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 2-heteroaryl carboxamidesazacyclic compoundscarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsprimary carboxylic acid amidesvinylogous amides |
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| Substituents | primary carboxylic acid amidevinylogous amidearomatic heteromonocyclic compoundazacycleheteroaromatic compound1,2,3-triazole carboxylic acid or derivativescarboxamide groupcarboxylic acid derivative2-heteroaryl carboxamideorganic oxideorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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