| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:14:24 UTC |
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| Update Date | 2025-03-25 00:58:59 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02234202 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H14O4 |
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| Molecular Mass | 174.0892 |
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| SMILES | COC1(C)CC(C)C(C(=O)O)O1 |
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| InChI Key | XKGHHMQTVSESRC-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 | carbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundstetrahydrofurans |
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| Substituents | carbonyl groupcarboxylic acidtetrahydrofurancarboxylic acid derivativeoxacycleorganic oxidemonocarboxylic acid or derivativesketalaliphatic heteromonocyclic compoundhydrocarbon derivativeorganoheterocyclic compound |
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