| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 01:12:18 UTC |
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| Update Date | 2025-03-21 19:06:45 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00232559 |
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| Frequency | 9.2 |
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| Structure | |
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| Chemical Formula | C5H8O4 |
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| Molecular Mass | 132.0423 |
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| SMILES | CC1(O)CC(=O)OCO1 |
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| InChI Key | XXJIJUSEMLZMIR-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 estershemiacetalshydrocarbon derivativeslactonesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compounds |
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| Substituents | carbonyl groupcarboxylic acid derivativelactoneoxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundacetalcarboxylic acid esteraliphatic heteromonocyclic compoundhemiacetalhydrocarbon derivativemeta-dioxaneorganooxygen compound |
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