| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:51:35 UTC |
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| Update Date | 2025-03-25 00:50:37 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02182130 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H12O9 |
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| Molecular Mass | 264.0481 |
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| SMILES | O=C(O)C=COC1C(C(=O)O)OC(O)C(O)C1O |
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| InChI Key | XPPLTBJYIITISI-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 acidsdicarboxylic acids and derivativeshemiacetalshydrocarbon derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanespyran carboxylic acidssecondary alcoholsvinylogous esters |
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| Substituents | alcoholcarbonyl groupcarboxylic acidpyran carboxylic acid or derivativesglucuronic acid or derivativesvinylogous estermonosaccharidecarboxylic acid derivativepyran carboxylic acidoxacycleorganic oxidepyranaliphatic heteromonocyclic compoundsecondary alcoholdicarboxylic acid or derivativeshemiacetalhydrocarbon derivativeoxaneorganoheterocyclic compound1,2-diol |
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