| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 11:33:34 UTC |
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| Update Date | 2025-03-24 21:14:10 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01714624 |
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| Frequency | 0.7 |
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| Structure | |
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| Chemical Formula | C4H8O2 |
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| Molecular Mass | 88.0524 |
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| SMILES | C=CC(C)OO |
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| InChI Key | KRKIWMRTOODQMQ-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 | organic hydroperoxides |
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| Subclass | allylic hydroperoxides |
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| Direct Parent | allylic hydroperoxides |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alkyl hydroperoxideshydrocarbon derivativesperoxols |
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| Substituents | aliphatic acyclic compoundalkyl hydroperoxidehydrocarbon derivativeperoxolallylic hydroperoxideorganooxygen compound |
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