| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 10:59:00 UTC |
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| Update Date | 2025-03-24 20:58:40 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01631196 |
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| Frequency | 0.8 |
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| Structure | |
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| Chemical Formula | C6H9NO2 |
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| Molecular Mass | 127.0633 |
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| SMILES | CNC(=O)C=CC(C)=O |
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| InChI Key | AEMVPXQVDLSHSL-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | lipids and lipid-like molecules |
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| Class | fatty acyls |
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| Subclass | fatty amides |
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| Direct Parent | n-acyl amines |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | acryloyl compoundscarboxylic acids and derivativesenoneshydrocarbon derivativesketonesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amides |
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| Substituents | aliphatic acyclic compoundcarbonyl groupalpha,beta-unsaturated ketonecarboxamide groupcarboxylic acid derivativen-acyl-amineketonesecondary carboxylic acid amideorganic oxideorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeacryloyl-grouporganic nitrogen compoundorganooxygen compoundenone |
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