| Record Information |
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| HMDB Status | detected |
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| Creation Date | 2024-02-21 02:27:59 UTC |
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| Update Date | 2025-03-21 20:56:32 UTC |
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| HMDB ID | HMDB0244172 |
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| Metabolite Identification |
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| DeepMet ID | DMID00409194 |
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| Name | 1,3-Dioxane |
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| Frequency | 4.4 |
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| Structure | |
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| Chemical Formula | C4H8O2 |
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| Molecular Mass | 88.0524 |
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| SMILES | C1COCOC1 |
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| InChI Key | VDFVNEFVBPFDSB-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | dioxanes |
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| Subclass | 1,3-dioxanes |
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| Direct Parent | 1,3-dioxanes |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | acetalshydrocarbon derivativesorganooxygen compoundsoxacyclic compounds |
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| Substituents | oxacycleorganic oxygen compoundacetalaliphatic heteromonocyclic compoundhydrocarbon derivativemeta-dioxaneorganooxygen compound |
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