| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:41:44 UTC |
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| Update Date | 2025-03-21 17:59:10 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00019187 |
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| Frequency | 214.1 |
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| Structure | |
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| Chemical Formula | C6H10O2 |
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| Molecular Mass | 114.0681 |
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| SMILES | CCC(=O)C(C)C=O |
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| InChI Key | HFHZCESKBNQESK-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 ketoaldehydes |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | 1,3-dicarbonyl compoundshydrocarbon derivativesketonesorganic oxides |
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| Substituents | ketonealiphatic acyclic compoundorganic oxidebeta-ketoaldehydehydrocarbon derivative1,3-dicarbonyl compound |
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