| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:53:48 UTC |
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| Update Date | 2025-03-25 00:51:28 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02187211 |
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| Frequency | 0.5 |
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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 | CC(=O)OC(CO)C(C)CO |
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| InChI Key | BDDDLSBGZXSNRM-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 | carbonyl compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesprimary alcohols |
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| Substituents | alcoholaliphatic acyclic compoundcarbonyl grouporganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativeprimary alcoholorganooxygen compound |
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