| Record Information |
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| HMDB Status | expected |
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| Creation Date | 2024-02-21 00:49:32 UTC |
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| Update Date | 2025-03-21 18:51:25 UTC |
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| HMDB ID | HMDB0040732 |
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| Metabolite Identification |
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| DeepMet ID | DMID00180212 |
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| Name | 2,7-Oxepanedione |
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| Frequency | 12.8 |
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| Structure | |
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| Chemical Formula | C6H8O3 |
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| Molecular Mass | 128.0473 |
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| SMILES | O=C1CCCCC(=O)O1 |
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| InChI Key | JPSKCQCQZUGWNM-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 compoundsoxepanes |
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| Substituents | caprolactonecarbonyl groupcarboxylic acid derivativelactoneoxepaneoxacycleorganic oxideorganic oxygen compoundaliphatic heteromonocyclic compoundcarboxylic acid anhydridedicarboxylic acid or derivativeshydrocarbon derivativeorganooxygen compound |
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