| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:22:08 UTC |
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| Update Date | 2025-03-21 18:37:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00115529 |
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| Frequency | 22.8 |
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| Structure | |
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| Chemical Formula | C6H8O4 |
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| Molecular Mass | 144.0423 |
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| SMILES | O=C1CCC(O)CC(=O)O1 |
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| InChI Key | JBCAACPPSPLLGK-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 | lactones |
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| Subclass | lactones |
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| Direct Parent | lactones |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acid anhydridesdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesoxacyclic compoundsoxepanessecondary alcohols |
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| Substituents | alcoholcaprolactonecarbonyl groupcarboxylic acid derivativelactoneoxepaneoxacycleorganic oxideorganic oxygen compoundaliphatic heteromonocyclic compoundcarboxylic acid anhydridesecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeorganooxygen compound |
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