Record Information |
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HMDB Status | Not Available |
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Creation Date | 2024-02-21 10:04:49 UTC |
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Update Date | 2025-03-24 20:35:54 UTC |
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HMDB ID | Not Available |
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Metabolite Identification |
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DeepMet ID | DMID01501143 |
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Frequency | 0.9 |
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Structure | |
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Chemical Formula | C4H5N3O |
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Molecular Mass | 111.0433 |
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SMILES | Nc1c[nH]nc1C=O |
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InChI Key | SLGJCTPVWIUXME-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-aldehydes |
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Geometric Descriptor | aromatic heteromonocyclic compounds |
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Alternative Parents | azacyclic compoundsheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganooxygen compoundsorganopnictogen compoundsprimary aminespyrazolesvinylogous amides |
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Substituents | vinylogous amidearomatic heteromonocyclic compoundazacycleheteroaromatic compoundpyrazoleorganic oxidearyl-aldehydeorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganoheterocyclic compoundazole |
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