| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:15:03 UTC |
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| Update Date | 2025-03-21 18:33:55 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00098216 |
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| Frequency | 28.0 |
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| Structure | |
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| Chemical Formula | C13H20O12 |
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| Molecular Mass | 368.0955 |
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| SMILES | O=C(O)C1CC(OC2OC(C(=O)O)C(O)C(O)C2O)C(O)C(O)C1O |
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| InChI Key | IPCOFVFTHWPXQZ-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 acidscyclitols and derivativescyclohexanolsdicarboxylic acids and derivativesglucuronic acid derivativeshydrocarbon derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanespyran carboxylic acids |
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| Substituents | carbonyl groupcarboxylic acido-glucuronidemonosaccharidecarboxylic acid derivativepyran carboxylic acid1-o-glucuronidebeta-hydroxy acidorganic oxideacetalaliphatic heteromonocyclic compoundoxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativescyclohexanolcyclitol or derivativeshydroxy acidcyclic alcoholoxacyclepyransecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivative |
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