| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 09:34:26 UTC |
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| Update Date | 2025-03-24 20:22:55 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01429854 |
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| Frequency | 0.9 |
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| Structure | |
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| Chemical Formula | C6H6O |
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| Molecular Mass | 94.0419 |
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| SMILES | C=CC#CC(C)=O |
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| InChI Key | MRYSEKMLLZUXGC-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,beta-unsaturated ketones |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | hydrocarbon derivativesketonesorganic oxides |
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| Substituents | ketonealiphatic acyclic compoundorganic oxidehydrocarbon derivativealpha,beta-unsaturated ketone |
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