| 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 | DMID01695069 |
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| Frequency | 0.7 |
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| Structure | |
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| Chemical Formula | C6H11NO2 |
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| Molecular Mass | 129.079 |
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| SMILES | CCC(O)C=CC(N)=O |
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| InChI Key | JXLIHCYIRFCRDR-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 | primary 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 compoundssecondary alcohols |
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| Substituents | primary carboxylic acid amidealcoholaliphatic acyclic compoundcarbonyl grouporganic oxideorganic oxygen compoundorganonitrogen compoundsecondary alcoholorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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