Record Information |
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HMDB Status | Not Available |
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Creation Date | 2024-02-21 14:53:52 UTC |
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Update Date | 2025-03-25 00:51:29 UTC |
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HMDB ID | Not Available |
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Metabolite Identification |
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DeepMet ID | DMID02187345 |
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Frequency | 0.5 |
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Structure | |
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Chemical Formula | C11H16O5 |
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Molecular Mass | 228.0998 |
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SMILES | CC(=O)OC1C=CC(O)C2OC(C)(C)OC12 |
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InChI Key | UBQLDWCXXDXTPD-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 heteropolycyclic compounds |
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Alternative Parents | 1,3-dioxolanescarbonyl compoundscarboxylic acid estershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundssecondary alcohols |
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Substituents | alcoholmeta-dioxolanecarbonyl groupcarboxylic acid derivativealiphatic heteropolycyclic compoundoxacycleorganic oxidemonocarboxylic acid or derivativesketalcarboxylic acid estersecondary alcoholhydrocarbon derivativeorganoheterocyclic compound |
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