| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 08:33:26 UTC |
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| Update Date | 2025-03-25 00:20:06 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01284156 |
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| Frequency | 1.0 |
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| Structure | |
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| Chemical Formula | C7H9NO2 |
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| Molecular Mass | 139.0633 |
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| SMILES | CC(C)C=C(C#N)C(=O)O |
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| InChI Key | JYFREZOLRUHBAQ-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 acids and conjugates |
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| Direct Parent | methyl-branched fatty acids |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesnitrilesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsunsaturated fatty acids |
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| Substituents | aliphatic acyclic compoundcarbonyl groupnitrilecarboxylic acidmethyl-branched fatty acidcarboxylic acid derivativeunsaturated fatty acidorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundcarbonitrileorganooxygen compound |
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