| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:22:58 UTC |
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| Update Date | 2025-03-21 18:37:50 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00117555 |
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| Frequency | 22.3 |
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| Structure | |
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| Chemical Formula | C7H14O4 |
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| Molecular Mass | 162.0892 |
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| SMILES | CCC(=O)OCC(O)C(C)O |
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| InChI Key | SCXBOQSCVHEQKE-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 | carboxylic acid derivatives |
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| Direct Parent | carboxylic acid esters |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | 1,2-diolscarbonyl compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidessecondary alcohols |
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| Substituents | alcoholaliphatic acyclic compoundcarbonyl grouporganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid estersecondary alcoholhydrocarbon derivativeorganooxygen compound1,2-diol |
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