| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 11:22:48 UTC |
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| Update Date | 2025-03-24 21:09:16 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01689013 |
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| Frequency | 0.7 |
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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 | Nc1[nH]ncc1C=O |
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| InChI Key | CWNBIZNFVWOUFW-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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