| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 01:03:17 UTC |
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| Update Date | 2025-03-21 19:02:08 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00211867 |
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| Frequency | 10.4 |
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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)CC(C)(C)O1 |
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| InChI Key | FCJRUJXIBAFSJO-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 | acetalscarbonyl compoundscarboxylic acid estershydrocarbon derivativeslactonesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compounds |
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| Substituents | carbonyl groupcarboxylic acid derivativelactoneoxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundacetalcarboxylic acid esteraliphatic heteromonocyclic compoundhydrocarbon derivativemeta-dioxaneorganooxygen compound |
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