| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 16:34:26 UTC |
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| Update Date | 2025-03-25 01:29:09 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02419069 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C6H8O4 |
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| Molecular Mass | 144.0423 |
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| SMILES | O=C(O)C12CC(CO1)CO2 |
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| InChI Key | BJCYPIZUQISHFC-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-dioxanescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundstetrahydrofurans |
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| Substituents | carbonyl groupcarboxylic acidtetrahydrofurancarboxylic acid derivativealiphatic heteropolycyclic compoundoxacycleorganic oxidemonocarboxylic acid or derivativesketalhydrocarbon derivativemeta-dioxaneorganoheterocyclic compound |
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