| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:56:27 UTC |
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| Update Date | 2025-03-21 18:04:57 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00053780 |
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| Frequency | 60.1 |
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| Structure | |
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| Chemical Formula | C9H12O11 |
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| Molecular Mass | 296.038 |
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| SMILES | O=C(O)C(O)C(=O)OC1OC(C(=O)O)C(O)C(O)C1O |
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| InChI Key | FABYGSCPKPXUGX-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 | 1,3-dicarbonyl compoundsacetalsalpha hydroxy acids and derivativesbeta hydroxy acids and derivativescarboxylic acid esterscarboxylic acidsglucuronic acid derivativeshydrocarbon 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 compoundoxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativeshydroxy acidoxacyclepyrancarboxylic acid estersecondary alcoholhydrocarbon derivative1,3-dicarbonyl compound |
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