| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:08:40 UTC |
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| Update Date | 2025-03-25 00:56:53 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02221417 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C19H28O17 |
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| Molecular Mass | 528.1326 |
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| SMILES | O=C(O)C1OC(OC2C(C(=O)O)OC(OC3CCC(O)(C(=O)O)CC3O)C(O)C2O)C(O)C(O)C1O |
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| InChI Key | SJUAIAONQJEFHV-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 acidscyclitols and derivativescyclohexanolsglucuronic acid derivativeshydrocarbon derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanespyran carboxylic acidstertiary 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 derivativescyclohexanolcyclitol or derivativeshydroxy acidcyclic alcoholoxacycletertiary alcoholpyransecondary alcoholhydrocarbon derivative |
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