| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:15:34 UTC |
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| Update Date | 2025-03-25 00:59:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02236865 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H16O12 |
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| Molecular Mass | 388.0642 |
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| SMILES | O=C(OC1OC(C(=O)O)C(O)C(O)C1O)C(=O)C(O)c1ccc(O)c(O)c1 |
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| InChI Key | QYIGAJBIYASYCF-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 | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsacetalsacyloinsalpha-hydroxy ketonesalpha-keto acids and derivativesaromatic alcoholsbeta hydroxy acids and derivativescarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativesfatty acid estersglucuronic acid derivativeshydrocarbon derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanesphenylpyruvic acid derivativespyran carboxylic acidssecondary alcohols |
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| Substituents | aromatic alcoholfatty acylmonocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundo-glucuronide1-hydroxy-2-unsubstituted benzenoidmonosaccharidealpha-hydroxy ketonecarboxylic acid derivativepyran carboxylic acidketone1-o-glucuronidebeta-hydroxy acidorganic oxideacetalalpha-keto acidoxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativesphenylpyruvatehydroxy acid1-hydroxy-4-unsubstituted benzenoidoxacyclefatty acid esterpyranketo acidacyloincarboxylic acid estersecondary alcoholdicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoid |
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