| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:29:20 UTC |
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| Update Date | 2025-03-21 18:41:07 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00132573 |
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| Frequency | 19.0 |
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| Structure | |
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| Chemical Formula | C14H16O8 |
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| Molecular Mass | 312.0845 |
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| SMILES | O=C(Cc1ccccc1)OC1C(O)OC(C(=O)O)C(O)C1O |
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| InChI Key | WNHQGSMKIMTRJC-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 | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1,2-diolsbenzene and substituted derivativesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativeshemiacetalshydrocarbon derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanespyran carboxylic acidssecondary alcohols |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidglucuronic acid or derivativesaromatic heteromonocyclic compoundmonosaccharidecarboxylic acid derivativepyran carboxylic acidbeta-hydroxy acidorganic oxidehemiacetaloxaneorganoheterocyclic compound1,2-diolalcoholpyran carboxylic acid or derivativeshydroxy acidoxacyclepyrancarboxylic acid estersecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativebenzenoid |
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