| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 09:31:08 UTC |
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| Update Date | 2025-03-24 20:21:31 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01421996 |
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| Frequency | 0.9 |
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| Structure | |
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| Chemical Formula | C6H8O3 |
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| Molecular Mass | 128.0473 |
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| SMILES | CCC(=O)OC(C)=C=O |
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| InChI Key | OJRRQHQFLAYEDZ-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 oxidesynolates |
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| Substituents | aliphatic acyclic compoundcarbonyl grouporganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundynolatecarboxylic acid esterhydrocarbon derivativeorganooxygen compound |
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