| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:43:37 UTC |
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| Update Date | 2025-03-25 00:47:45 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02163824 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H14O6 |
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| Molecular Mass | 218.079 |
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| SMILES | CC1(C)OC(CC(=O)O)CC(C(=O)O)O1 |
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| InChI Key | MAKONRHMWHRWMX-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-dioxanescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesoxacyclic compounds |
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| Substituents | carbonyl groupcarboxylic acidcarboxylic acid derivativeoxacycleorganic oxideketalaliphatic heteromonocyclic compounddicarboxylic acid or derivativeshydrocarbon derivativemeta-dioxaneorganoheterocyclic compound |
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