| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:13:24 UTC |
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| Update Date | 2025-03-25 00:58:37 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02231906 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H12O4 |
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| Molecular Mass | 160.0736 |
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| SMILES | CC1(C)OCC(C(O)C=O)O1 |
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| InChI Key | BCIDPFVWACSAAZ-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-dioxolanesalpha-hydroxyaldehydeshydrocarbon derivativesorganic oxidesoxacyclic compoundssecondary alcohols |
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| Substituents | alcoholmeta-dioxolanecarbonyl groupaldehydeoxacycleorganic oxidealpha-hydroxyaldehydeketalaliphatic heteromonocyclic compoundsecondary alcoholhydrocarbon derivativeorganoheterocyclic compound |
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