| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:10:27 UTC |
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| Update Date | 2025-03-25 00:57:32 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02225417 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H22O3 |
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| Molecular Mass | 214.1569 |
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| SMILES | CC(=O)OC(=O)CCC(C)(C)CC(C)C |
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| InChI Key | CAOANDIVFBPKCV-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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