| 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 18:30:35 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00082797 |
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| Frequency | 34.8 |
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| Structure | |
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| Chemical Formula | C13H18O14 |
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| Molecular Mass | 398.0697 |
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| SMILES | O=C(O)C1OC(OC2C(O)CC(O)(C(=O)O)OC2C(=O)O)C(O)C(O)C1O |
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| InChI Key | SXMYVAYWYQRZJI-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 | acetalsalpha hydroxy acids and derivativesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsglucuronic acid derivativeshemiacetalshydrocarbon derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanespyran carboxylic acidssecondary alcoholstricarboxylic acids and derivatives |
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| Substituents | carbonyl groupcarboxylic acidalpha-hydroxy acido-glucuronidemonosaccharidetricarboxylic acid or derivativescarboxylic acid derivativepyran carboxylic acid1-o-glucuronidebeta-hydroxy acidorganic oxideacetalaliphatic heteromonocyclic compoundhemiacetaloxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativeshydroxy acidoxacyclepyransecondary alcoholhydrocarbon derivative |
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