| Record Information |
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| HMDB Status | expected |
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| Creation Date | 2024-02-20 23:37:26 UTC |
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| Update Date | 2025-03-21 17:57:41 UTC |
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| HMDB ID | HMDB0031511 |
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| Metabolite Identification |
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| DeepMet ID | DMID00009495 |
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| Name | Diacetone alcohol |
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| Frequency | 507.1 |
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| Structure | |
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| Chemical Formula | C6H12O2 |
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| Molecular Mass | 116.0837 |
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| SMILES | CC(=O)CC(C)(C)O |
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| InChI Key | SWXVUIWOUIDPGS-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 | beta-hydroxy ketones |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | hydrocarbon derivativesorganic oxidestertiary alcohols |
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| Substituents | alcoholbeta-hydroxy ketonealiphatic acyclic compoundtertiary alcoholorganic oxidehydrocarbon derivative |
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