| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:44:47 UTC |
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| Update Date | 2025-03-25 00:48:10 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02166554 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H12O4 |
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| Molecular Mass | 160.0736 |
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| SMILES | CC(=O)OCC(=O)C(C)CO |
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| InChI Key | BJKBMDLFBHUTGH-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 oxidesprimary alcohols |
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| Substituents | alcoholbeta-hydroxy ketonealiphatic acyclic compoundalpha-acyloxy ketonecarboxylic acid derivativeketoneorganic oxidemonocarboxylic acid or derivativescarboxylic acid esterhydrocarbon derivativeprimary alcohol |
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