| Record Information |
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| HMDB Status | expected |
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| Creation Date | 2024-02-20 23:35:42 UTC |
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| Update Date | 2025-03-21 17:57:04 UTC |
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| HMDB ID | HMDB0034466 |
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| Metabolite Identification |
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| DeepMet ID | DMID00005477 |
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| Name | Acetoxyacetone |
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| Frequency | 975.3 |
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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 | CC(=O)COC(C)=O |
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| InChI Key | DBERHVIZRVGDFO-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | carbonyl compounds |
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| Direct Parent | alpha-acyloxy ketones |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | carboxylic acid estershydrocarbon derivativesketonesmonocarboxylic acids and derivativesorganic oxides |
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| Substituents | ketonealiphatic acyclic compoundorganic oxidemonocarboxylic acid or derivativesalpha-acyloxy ketonecarboxylic acid esterhydrocarbon derivativecarboxylic acid derivative |
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