| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:59:25 UTC |
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| Update Date | 2025-03-25 01:15:51 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02337947 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C31H52O28 |
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| Molecular Mass | 872.2645 |
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| SMILES | O=C(O)C1(OCC2OC(OC3C(CO)OC(OC4C(CO)OC(O)C(O)C4O)OC3CO)C(O)C(O)C2O)OC(CO)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1O |
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| InChI Key | VANOTMMVMZAACX-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 | glucuronic acid derivatives |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | 1,3-dioxanesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acid orthoesterscarboxylic acidshemiacetalshydrocarbon derivativesketalsmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesortho estersoxacyclic compoundsoxanesprimary alcoholspyran carboxylic acidssecondary alcohols |
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| Substituents | carbonyl groupcarboxylic acidglucuronic acid or derivativesortho estermonosaccharidecarboxylic acid orthoestercarboxylic acid derivativepyran carboxylic acidbeta-hydroxy acidorganic oxideacetalketalaliphatic heteromonocyclic compoundhemiacetalorthocarboxylic acid derivativeoxaneprimary alcoholorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativeshydroxy acidoxacyclemonocarboxylic acid or derivativespyransecondary alcoholhydrocarbon derivativemeta-dioxane |
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