| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 06:31:35 UTC |
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| Update Date | 2025-03-24 17:51:23 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00990381 |
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| Frequency | 1.4 |
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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 | O=C1COCC(O)CO1 |
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| InChI Key | QBJGUBXRNYQIBY-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 estersdialkyl ethershydrocarbon derivativeslactonesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundssecondary alcohols |
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| Substituents | alcoholcarbonyl groupether1,4-dioxepanecarboxylic acid derivativedialkyl etherlactoneoxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esteraliphatic heteromonocyclic compoundsecondary alcoholhydrocarbon derivativeorganooxygen compound |
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