| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 11:51:16 UTC |
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| Update Date | 2025-03-24 21:22:22 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01757158 |
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| Frequency | 0.7 |
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| Structure | |
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| Chemical Formula | C6H9NO |
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| Molecular Mass | 111.0684 |
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| SMILES | CNC1=C(C)CC1=O |
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| InChI Key | YJKITZWJOYKACI-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 | cyclic ketones |
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| Geometric Descriptor | aliphatic homomonocyclic compounds |
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| Alternative Parents | dialkylamineshydrocarbon derivativesorganic oxidesorganopnictogen compounds |
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| Substituents | secondary aliphatic aminecyclic ketonesecondary amineorganic oxideorganonitrogen compoundaliphatic homomonocyclic compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundamine |
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