| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 08:40:24 UTC |
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| Update Date | 2025-03-25 00:22:36 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01300529 |
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| Frequency | 1.0 |
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| Structure | |
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| Chemical Formula | C7H12O3 |
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| Molecular Mass | 144.0786 |
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| SMILES | CC1OC(=O)OCC1(C)C |
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| InChI Key | AFVIOTTWIDXSDJ-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 | carbonic acid diesterscarbonyl compoundshydrocarbon derivativesorganic oxidesoxacyclic compounds |
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| Substituents | oxacyclecarbonyl grouporganic oxidecarbonic acid derivativeorganic oxygen compoundaliphatic heteromonocyclic compoundcarbonic acid diesterhydrocarbon derivativemeta-dioxaneorganooxygen compound |
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