Record Information |
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HMDB Status | Not Available |
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Creation Date | 2024-02-21 12:42:01 UTC |
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Update Date | 2025-03-24 21:44:44 UTC |
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HMDB ID | Not Available |
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Metabolite Identification |
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DeepMet ID | DMID01876998 |
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Frequency | 0.6 |
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Structure | |
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Chemical Formula | C4H5NO2 |
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Molecular Mass | 99.032 |
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SMILES | C=CC(=O)C(N)=O |
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InChI Key | XYDCCJFDZNZRJD-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 | acryloyl compounds |
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Direct Parent | acryloyl compounds |
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Geometric Descriptor | aliphatic acyclic compounds |
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Alternative Parents | carboxylic acids and derivativesenoneshydrocarbon derivativesketonesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsprimary carboxylic acid amides |
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Substituents | primary carboxylic acid amidealiphatic acyclic compoundcarbonyl groupalpha,beta-unsaturated ketonecarboxamide groupcarboxylic acid derivativeketoneorganic oxideorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeacryloyl-grouporganic nitrogen compoundenone |
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