| Record Information |
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| HMDB Status | predicted |
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| Creation Date | 2024-02-21 00:06:55 UTC |
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| Update Date | 2025-03-21 18:29:40 UTC |
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| HMDB ID | HMDB0125610 |
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| Metabolite Identification |
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| DeepMet ID | DMID00078816 |
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| Name | 6-{[2,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-3-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid |
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| Frequency | 37.1 |
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| Structure | |
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| Chemical Formula | C12H20O12 |
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| Molecular Mass | 356.0955 |
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| SMILES | O=C(O)C1OC(OC2C(O)C(CO)OC2(O)CO)C(O)C(O)C1O |
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| InChI Key | PDHDPZFZNCPUIP-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 acidsglucuronic acid derivativeshemiacetalshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanesprimary alcoholspyran carboxylic acidssecondary alcoholstetrahydrofurans |
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| Substituents | carbonyl groupcarboxylic acido-glucuronidemonosaccharidecarboxylic acid derivativepyran carboxylic acid1-o-glucuronidebeta-hydroxy acidorganic oxideacetalaliphatic heteromonocyclic compoundhemiacetaloxaneprimary alcoholorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativestetrahydrofuranhydroxy acidoxacyclemonocarboxylic acid or derivativespyransecondary alcoholhydrocarbon derivative |
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