| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:18:19 UTC |
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| Update Date | 2025-03-25 01:00:31 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02243129 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H14O4 |
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| Molecular Mass | 174.0892 |
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| SMILES | C=CC(O)C(O)COC(=O)CC |
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| InChI Key | LNOVSQWCKIMRLE-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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