| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:15:42 UTC |
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| Update Date | 2025-03-21 18:34:13 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00099769 |
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| Frequency | 27.5 |
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| Structure | |
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| Chemical Formula | C7H12O5 |
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| Molecular Mass | 176.0685 |
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| SMILES | CC1(C)OC(CO)C(C(=O)O)O1 |
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| InChI Key | CTQNZYQSFAEXIQ-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 acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundsprimary alcohols |
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| Substituents | alcoholmeta-dioxolanecarbonyl groupcarboxylic acidcarboxylic acid derivativeoxacycleorganic oxidemonocarboxylic acid or derivativesketalaliphatic heteromonocyclic compoundhydrocarbon derivativeprimary alcoholorganoheterocyclic compound |
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