| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:17:25 UTC |
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| Update Date | 2025-03-25 00:38:26 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02103273 |
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| Frequency | 0.6 |
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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 | CC1CC(=O)OCC(=O)O1 |
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| InChI Key | HPLOUJVSDSYYNU-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 | dioxepanes |
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| Subclass | 1,4-dioxepanes |
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| Direct Parent | 1,4-dioxepanes |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acid estersdicarboxylic acids and derivativeshydrocarbon derivativeslactonesorganic oxidesoxacyclic compounds |
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| Substituents | carbonyl group1,4-dioxepanecarboxylic acid derivativelactoneoxacycleorganic oxideorganic oxygen compoundcarboxylic acid esteraliphatic heteromonocyclic compounddicarboxylic acid or derivativeshydrocarbon derivativeorganooxygen compound |
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