| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 11:33:39 UTC |
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| Update Date | 2025-03-24 21:14:13 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01714807 |
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| Frequency | 0.7 |
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| Structure | |
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| Chemical Formula | C6H8O3 |
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| Molecular Mass | 128.0473 |
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| SMILES | C=CC1(C)OCC(=O)O1 |
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| InChI Key | CWSKFAXWCAWQSB-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 | ethers |
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| Direct Parent | ketals |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | 1,3-dioxolanescarbonyl compoundscarboxylic acid estershydrocarbon derivativeslactonesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compounds |
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| Substituents | meta-dioxolanecarbonyl groupcarboxylic acid derivativelactoneoxacycleorganic oxidemonocarboxylic acid or derivativesketalcarboxylic acid esteraliphatic heteromonocyclic compoundhydrocarbon derivativeorganoheterocyclic compound |
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