| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 11:35:03 UTC |
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| Update Date | 2025-03-24 21:14:48 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01718268 |
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| Frequency | 0.7 |
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| Structure | |
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| Chemical Formula | C6H8O2 |
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| Molecular Mass | 112.0524 |
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| SMILES | C#CC(=O)OCCC |
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| InChI Key | WVCXWTWZTMGPMN-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 | ynoate esters |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | acetylidescarbonyl compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxides |
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| Substituents | aliphatic acyclic compoundcarbonyl groupacetylideynoate esterorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganooxygen compound |
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