| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:54:28 UTC |
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| Update Date | 2025-03-21 18:04:14 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00049268 |
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| Frequency | 67.0 |
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| Structure | |
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| Chemical Formula | C9H14O8 |
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| Molecular Mass | 250.0689 |
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| SMILES | CCC(=O)OC1C(C(=O)O)OC(O)C(O)C1O |
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| InChI Key | PXYNUVODCAABTC-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 | carbohydrates and carbohydrate conjugates |
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| Direct Parent | glucuronic acid derivatives |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | 1,2-diolscarbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativeshemiacetalshydrocarbon derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanespyran carboxylic acidssecondary alcohols |
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| Substituents | alcoholcarbonyl groupcarboxylic acidpyran carboxylic acid or derivativesglucuronic acid or derivativesmonosaccharidecarboxylic acid derivativepyran carboxylic acidoxacycleorganic oxidepyrancarboxylic acid esteraliphatic heteromonocyclic compoundsecondary alcoholdicarboxylic acid or derivativeshemiacetalhydrocarbon derivativeoxaneorganoheterocyclic compound1,2-diol |
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