| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:53:47 UTC |
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| Update Date | 2025-03-25 00:51:28 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02187173 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H20O11 |
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| Molecular Mass | 400.1006 |
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| SMILES | CC(C(=O)OC1OC(C(=O)O)C(O)C(O)C1O)c1cccc(C(O)C(=O)O)c1 |
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| InChI Key | SQLMSPXULUMKKU-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 | aromatic heteromonocyclic compounds |
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| Alternative Parents | acetalsalpha hydroxy acids and derivativesaromatic alcoholsbenzene and substituted derivativesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidsglucuronic acid derivativeshydrocarbon derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanespyran carboxylic acidssecondary alcoholstricarboxylic acids and derivatives |
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| Substituents | aromatic alcoholmonocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundalpha-hydroxy acido-glucuronidemonosaccharidetricarboxylic acid or derivativescarboxylic acid derivativepyran carboxylic acid1-o-glucuronidebeta-hydroxy acidorganic oxideacetaloxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativeshydroxy acidoxacyclepyrancarboxylic acid estersecondary alcoholhydrocarbon derivativebenzenoid |
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