| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:37:57 UTC |
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| Update Date | 2025-03-25 00:45:45 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02151025 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H16O4 |
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| Molecular Mass | 188.1049 |
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| SMILES | CCC(=O)C(OC(C)=O)C(C)(C)O |
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| InChI Key | XINOAZDMWROIKN-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 | beta-hydroxy ketonescarboxylic acid estershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidestertiary alcohols |
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| Substituents | alcoholbeta-hydroxy ketonealiphatic acyclic compoundalpha-acyloxy ketonecarboxylic acid derivativeketonetertiary alcoholorganic oxidemonocarboxylic acid or derivativescarboxylic acid esterhydrocarbon derivative |
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