| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:30:32 UTC |
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| Update Date | 2025-03-21 18:41:38 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00135265 |
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| Frequency | 18.6 |
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| Structure | |
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| Chemical Formula | C9H16O7 |
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| Molecular Mass | 236.0896 |
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| SMILES | CC(C)(O)C1OC(O)(C(=O)O)CC(O)C1O |
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| InChI Key | KAUSQQNBRZPWJA-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 | c-glucuronides |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | alpha hydroxy acids and derivativescarbonyl compoundscarboxylic acidshemiacetalshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanespyran carboxylic acidssecondary alcoholstertiary alcohols |
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| Substituents | carbonyl groupcarboxylic acidalpha-hydroxy acidmonosaccharidecarboxylic acid derivativepyran carboxylic acidorganic oxidealiphatic heteromonocyclic compoundhemiacetaloxaneorganoheterocyclic compoundc-glucuronidealcoholpyran carboxylic acid or derivativeshydroxy acidoxacycletertiary alcoholmonocarboxylic acid or derivativespyransecondary alcoholhydrocarbon derivative |
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