| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 11:15:36 UTC |
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| Update Date | 2025-03-24 21:06:02 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01671458 |
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| Frequency | 0.7 |
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| Structure | |
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| Chemical Formula | C6H6O3 |
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| Molecular Mass | 126.0317 |
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| SMILES | C=CCC(=C=O)C(=O)O |
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| InChI Key | WQNCAIHZPNUDGT-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 | branched fatty acids |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acidshydrocarbon derivativesketenesmonocarboxylic acids and derivativesorganic oxidesunsaturated fatty acidsynolates |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidcarboxylic acid derivativebranched fatty acidunsaturated fatty acidorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundynolatehydrocarbon derivativeketeneorganooxygen compound |
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