| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 11:25:32 UTC |
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| Update Date | 2025-03-24 21:10:30 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01695544 |
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| Frequency | 0.7 |
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| Structure | |
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| Chemical Formula | C7H10O2 |
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| Molecular Mass | 126.0681 |
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| SMILES | CC=CC(C=O)C(C)=O |
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| InChI Key | FLWSENLIOBFQJB-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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