| Record Information |
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| HMDB Status | expected |
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| Creation Date | 2024-02-21 00:23:56 UTC |
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| Update Date | 2025-03-21 18:38:15 UTC |
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| HMDB ID | HMDB0040447 |
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| Metabolite Identification |
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| DeepMet ID | DMID00119822 |
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| Name | Butyl acetoacetate |
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| Frequency | 21.7 |
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| Structure | |
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| Chemical Formula | C8H14O3 |
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| Molecular Mass | 158.0943 |
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| SMILES | CCCCOC(=O)CC(C)=O |
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| InChI Key | REIYHFWZISXFKU-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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