| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 11:08:17 UTC |
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| Update Date | 2025-03-24 21:02:49 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01653776 |
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| Frequency | 0.8 |
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| Structure | |
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| Chemical Formula | C6H6O4 |
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| Molecular Mass | 142.0266 |
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| SMILES | CC=C1C(=O)OC(=O)C1O |
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| InChI Key | ZLGAHEYLMZDROW-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | dicarboxylic acids and derivatives |
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| Direct Parent | dicarboxylic acids and derivatives |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acid anhydrideshydrocarbon derivativesorganic oxidesoxacyclic compoundssecondary alcoholstetrahydrofurans |
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| Substituents | alcoholcarbonyl grouptetrahydrofuranoxacycleorganic oxideorganic oxygen compoundaliphatic heteromonocyclic compoundcarboxylic acid anhydridesecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeorganoheterocyclic compoundorganooxygen compound |
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