| Record Information |
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| HMDB Status | predicted |
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| Creation Date | 2024-02-20 23:58:25 UTC |
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| Update Date | 2025-03-21 18:05:41 UTC |
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| HMDB ID | HMDB0130160 |
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| Metabolite Identification |
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| DeepMet ID | DMID00058398 |
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| Name | 6-[(3-carboxy-5,6-dihydroxycyclohex-2-en-1-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid |
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| Frequency | 54.1 |
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| Structure | |
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| Chemical Formula | C13H18O11 |
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| Molecular Mass | 350.0849 |
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| SMILES | O=C(O)C1=CC(OC2OC(C(=O)O)C(O)C(O)C2O)C(O)C(O)C1 |
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| InChI Key | MTOAOKCVCRCBIY-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 derivativesdicarboxylic acids and derivativesglucuronic acid derivativeshydrocarbon derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanespyran carboxylic acidssecondary alcohols |
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| Substituents | carbonyl groupcarboxylic acido-glucuronidemonosaccharidecarboxylic acid derivativepyran carboxylic acid1-o-glucuronidebeta-hydroxy acidorganic oxideacetalaliphatic heteromonocyclic compoundoxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativescyclitol or derivativeshydroxy acidoxacyclepyransecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivative |
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