| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:25:12 UTC |
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| Update Date | 2025-03-21 18:38:50 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00122820 |
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| Frequency | 21.0 |
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| Structure | |
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| Chemical Formula | C9H14O3 |
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| Molecular Mass | 170.0943 |
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| SMILES | CCC=CCCC(=O)OC(C)=O |
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| InChI Key | RJUXDTVUSOCAIB-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 | dicarboxylic acids and derivatives |
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| Direct Parent | dicarboxylic acids and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acid anhydrideshydrocarbon derivativesorganic oxides |
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| Substituents | aliphatic acyclic compoundcarbonyl grouporganic oxideorganic oxygen compoundcarboxylic acid anhydridedicarboxylic acid or derivativeshydrocarbon derivativeorganooxygen compound |
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