| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:04:05 UTC |
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| Update Date | 2025-03-25 00:55:07 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02210747 |
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| Frequency | 0.5 |
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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 | C=CNC(=O)C(=C)C |
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| InChI Key | MRUJSNSDPBZNHO-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | carboxylic acid derivatives |
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| Direct Parent | secondary carboxylic acid amides |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | aliphatic acyclic compoundcarbonyl groupsecondary carboxylic acid amideorganic oxideorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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