| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 11:25:19 UTC |
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| Update Date | 2025-03-24 21:10:23 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01695054 |
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| Frequency | 0.7 |
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| Structure | |
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| Chemical Formula | C5H9NO |
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| Molecular Mass | 99.0684 |
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| SMILES | CCC(C=O)=CN |
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| InChI Key | IWAPFSLIJDJZND-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 | vinylogous amides |
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| Subclass | vinylogous amides |
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| Direct Parent | vinylogous amides |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | aldehydeshydrocarbon derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | vinylogous amidealiphatic acyclic compoundcarbonyl groupaldehydeorganic oxideorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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