| Record Information |
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| HMDB Status | detected |
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| Creation Date | 2024-02-21 00:03:03 UTC |
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| Update Date | 2025-03-21 18:07:27 UTC |
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| HMDB ID | HMDB0244216 |
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| Metabolite Identification |
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| DeepMet ID | DMID00069469 |
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| Name | Dioxane |
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| Frequency | 43.4 |
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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 | C1COCCO1 |
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| InChI Key | RYHBNJHYFVUHQT-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 | 1,4-dioxanes |
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| Direct Parent | 1,4-dioxanes |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | dialkyl ethershydrocarbon derivativesoxacyclic compounds |
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| Substituents | oxacycleetherorganic oxygen compoundpara-dioxanealiphatic heteromonocyclic compoundhydrocarbon derivativedialkyl etherorganooxygen compound |
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