| Record Information |
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| HMDB Status | expected |
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| Creation Date | 2024-02-20 23:36:36 UTC |
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| Update Date | 2025-03-21 17:57:23 UTC |
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| HMDB ID | HMDB0000310 |
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| Metabolite Identification |
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| DeepMet ID | DMID00007534 |
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| Name | Methylacetoacetic acid |
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| Frequency | 669.3 |
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| Structure | |
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| Chemical Formula | C5H8O3 |
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| Molecular Mass | 116.0473 |
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| SMILES | COC(=O)CC(C)=O |
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| InChI Key | WRQNANDWMGAFTP-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 | fatty acid methyl estershydrocarbon derivativesketonesmethyl estersmonocarboxylic acids and derivativesorganic oxides |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acid derivativebeta-keto acidketonefatty acid esterorganic oxidemonocarboxylic acid or derivativesfatty acid methyl estermethyl esterorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativeorganooxygen compound |
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