| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:10:01 UTC |
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| Update Date | 2025-03-25 00:57:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02224481 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H16O12 |
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| Molecular Mass | 340.0642 |
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| SMILES | O=C(O)C(=O)OC1C(O)CC(O)(C(=O)O)OC1C(O)C(O)CO |
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| InChI Key | SIFSMHAERCCKMJ-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 acid esterscarboxylic acidshemiacetalshydrocarbon derivativesorganic oxidesoxacyclic compoundsoxanesprimary alcoholspyran carboxylic acidssecondary alcoholstricarboxylic acids and derivatives |
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| Substituents | c-glucuronidealcoholcarbonyl groupcarboxylic acidpyran carboxylic acid or derivativesalpha-hydroxy acidtricarboxylic acid or derivativeshydroxy acidcarboxylic acid derivativepyran carboxylic acidoxacycleorganic oxidepyrancarboxylic acid esteraliphatic heteromonocyclic compoundsecondary alcoholhemiacetalhydrocarbon derivativeoxaneprimary alcoholorganoheterocyclic compound |
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