| Record Information |
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| HMDB Status | expected |
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| Creation Date | 2024-02-20 23:44:30 UTC |
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| Update Date | 2025-03-21 18:00:09 UTC |
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| HMDB ID | HMDB0031216 |
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| Metabolite Identification |
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| DeepMet ID | DMID00025478 |
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| Name | Ethyl acetoacetate |
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| Frequency | 151.5 |
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| Structure | |
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| Chemical Formula | C6H10O3 |
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| Molecular Mass | 130.063 |
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| SMILES | CCOC(=O)CC(C)=O |
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| InChI Key | XYIBRDXRRQCHLP-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 | keto acids and derivatives |
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| Subclass | beta-keto acids and derivatives |
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| Direct Parent | beta-keto acids and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | carboxylic acid estersfatty acid estershydrocarbon derivativesketonesmonocarboxylic acids and derivativesorganic oxides |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acid derivativebeta-keto acidketonefatty acid esterorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativeorganooxygen compound |
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