| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:08:35 UTC |
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| Update Date | 2025-03-21 18:30:34 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00082792 |
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| Frequency | 34.8 |
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| Structure | |
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| Chemical Formula | C10H14O10 |
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| Molecular Mass | 294.0587 |
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| SMILES | O=C(O)CCC(=O)OC1C(C(=O)O)OC(O)C(O)C1O |
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| InChI Key | WATSGQQMVRKFMU-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 acidsfatty acid estershemiacetalshydrocarbon derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanespyran carboxylic acidssecondary alcoholstricarboxylic acids and derivatives |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidglucuronic acid or derivativesmonosaccharidetricarboxylic acid or derivativescarboxylic acid derivativepyran carboxylic acidorganic oxidealiphatic heteromonocyclic compoundhemiacetaloxaneorganoheterocyclic compound1,2-diolalcoholpyran carboxylic acid or derivativesoxacyclefatty acid esterpyrancarboxylic acid estersecondary alcoholhydrocarbon derivative |
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