| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:04:23 UTC |
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| Update Date | 2025-03-25 00:55:16 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02211481 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H14O4 |
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| Molecular Mass | 186.0892 |
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| SMILES | CC(=O)OC(C(=O)C(C)=O)C(C)C |
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| InChI Key | CUPJPSYHJYLWIY-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 | carbonyl compounds |
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| Direct Parent | alpha-acyloxy ketones |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alpha-diketonescarboxylic acid estershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxides |
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| Substituents | aliphatic acyclic compoundalpha-acyloxy ketonecarboxylic acid derivativealpha-diketoneketoneorganic oxidemonocarboxylic acid or derivativescarboxylic acid esterhydrocarbon derivative |
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