| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:57:37 UTC |
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| Update Date | 2025-03-21 18:05:22 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00056510 |
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| Frequency | 56.4 |
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| Structure | |
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| Chemical Formula | C12H20O8 |
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| Molecular Mass | 292.1158 |
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| SMILES | CCC(C)(C)C(=O)OC1OC(C(=O)O)C(O)C(O)C1O |
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| InChI Key | ZHKXNWQZVGGPHM-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 | o-glucuronides |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | acetalsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativesfatty acid estersglucuronic acid derivativeshydrocarbon derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanespyran carboxylic acidssecondary alcohols |
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| Substituents | fatty acylcarbonyl groupcarboxylic acido-glucuronidemonosaccharidecarboxylic acid derivativepyran carboxylic acid1-o-glucuronidebeta-hydroxy acidorganic oxideacetalaliphatic heteromonocyclic compoundoxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativeshydroxy acidoxacyclefatty acid esterpyrancarboxylic acid estersecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivative |
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