| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 03:22:58 UTC |
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| Update Date | 2025-03-21 22:17:04 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00539658 |
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| Frequency | 3.1 |
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| Structure | |
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| Chemical Formula | C7H13NO2 |
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| Molecular Mass | 143.0946 |
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| SMILES | CNCCCC(=O)C(C)=O |
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| InChI Key | XIWPBCNOVVFMAP-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 | alpha-diketones |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | dialkylamineshydrocarbon derivativesorganic oxidesorganopnictogen compounds |
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| Substituents | aliphatic acyclic compoundsecondary aliphatic aminesecondary aminealpha-diketoneorganic oxideorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundamine |
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