| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:16:23 UTC |
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| Update Date | 2025-03-25 00:59:41 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02238686 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H20O14 |
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| Molecular Mass | 400.0853 |
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| SMILES | O=C(O)COC1(OC2OC(C(=O)O)C(O)C(O)C2O)OC(CO)C(O)C1O |
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| InChI Key | LGULPWQGYNKIRI-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 acid orthoesterscarboxylic acidsdicarboxylic acids and derivativesglucuronic acid derivativeshydrocarbon derivativesmonosaccharidesorganic oxidesortho estersoxacyclic compoundsoxanesprimary alcoholspyran carboxylic acidssecondary alcoholstetrahydrofurans |
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| Substituents | carbonyl groupcarboxylic acidortho estero-glucuronidemonosaccharidecarboxylic acid orthoestercarboxylic acid derivativepyran carboxylic acid1-o-glucuronidebeta-hydroxy acidorganic oxideacetalaliphatic heteromonocyclic compoundorthocarboxylic acid derivativeoxaneprimary alcoholorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativestetrahydrofuranhydroxy acidoxacyclepyransecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivative |
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