| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 11:36:39 UTC |
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| Update Date | 2025-03-24 21:15:29 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01722097 |
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| Frequency | 0.7 |
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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 | CC(=O)c1c(C)n[nH]c1N |
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| InChI Key | XYPSOOKVMCUCIY-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 alkyl ketones |
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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 amidearyl alkyl ketonearomatic heteromonocyclic compoundazacycleheteroaromatic compoundpyrazoleorganic oxideorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganoheterocyclic compoundazole |
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