| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 13:12:08 UTC |
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| Update Date | 2025-03-24 21:58:01 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01947876 |
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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 | CC(O)C(=O)C1COC1=O |
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| InChI Key | XEMGJWNWBJGXGZ-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | carbonyl compounds |
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| Direct Parent | acyloins |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | 1,3-dicarbonyl compoundsbeta propiolactonescarboxylic acid estershydrocarbon derivativesketonesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundsoxetanessecondary alcohols |
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| Substituents | alcoholcarboxylic acid derivativebeta_propiolactoneketonelactoneoxacycleorganic oxidemonocarboxylic acid or derivativesacyloincarboxylic acid esteroxetanealiphatic heteromonocyclic compoundsecondary alcoholhydrocarbon derivative1,3-dicarbonyl compoundorganoheterocyclic compound |
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