| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 08:31:42 UTC |
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| Update Date | 2025-03-25 00:19:26 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01280057 |
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| Frequency | 1.0 |
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| Structure | |
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| Chemical Formula | C6H13NO2 |
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| Molecular Mass | 131.0946 |
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| SMILES | CNCC(O)CC(C)=O |
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| InChI Key | SKZMVCCTVQBBTE-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 | beta-hydroxy ketones |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | dialkylamineshydrocarbon derivativesorganic oxidesorganopnictogen compoundssecondary alcohols |
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| Substituents | alcoholbeta-hydroxy ketonealiphatic acyclic compoundsecondary aliphatic aminesecondary amineorganic oxideorganonitrogen compoundsecondary alcoholorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundamine |
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