| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:16:11 UTC |
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| Update Date | 2025-03-21 18:34:28 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00100939 |
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| Frequency | 27.1 |
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| Structure | |
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| Chemical Formula | C9H12O9 |
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| Molecular Mass | 264.0481 |
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| SMILES | CC(=O)C(=O)OC1OC(C(=O)O)C(O)C(O)C1O |
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| InChI Key | WQMKKTXGBNGHEC-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-keto acids and derivativesbeta hydroxy acids and derivativescarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativesglucuronic acid derivativeshydrocarbon derivativesketonesmonosaccharidesorganic oxidesoxacyclic compoundsoxanespyran carboxylic acidssecondary alcohols |
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| Substituents | carbonyl groupcarboxylic acido-glucuronidemonosaccharidecarboxylic acid derivativepyran carboxylic acidketone1-o-glucuronidebeta-hydroxy acidorganic oxideacetalaliphatic heteromonocyclic compoundalpha-keto acidoxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativeshydroxy acidoxacyclepyranketo acidcarboxylic acid estersecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivative |
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