Record Information |
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HMDB Status | Not Available |
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Creation Date | 2024-02-21 14:54:47 UTC |
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Update Date | 2025-03-25 00:51:47 UTC |
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HMDB ID | Not Available |
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Metabolite Identification |
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DeepMet ID | DMID02189431 |
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Frequency | 0.5 |
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Structure | |
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Chemical Formula | C16H20O8 |
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Molecular Mass | 340.1158 |
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SMILES | CC(C)c1ccc(OC2OC(C(=O)O)C(C(=O)O)C(O)C2O)cc1 |
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InChI Key | UPEDQKCPQWQBIO-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-diolsacetalsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidscumenesdicarboxylic acids and derivativeshydrocarbon derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanesphenol ethersphenoxy compoundsphenylpropanespyran carboxylic acidssecondary alcohols |
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Substituents | phenol ethermonocyclic benzene moietycarbonyl groupcarboxylic acidglucuronic acid or derivativesaromatic heteromonocyclic compoundmonosaccharidecarboxylic acid derivativepyran carboxylic acidphenylpropanebeta-hydroxy acidorganic oxideacetalcumeneoxaneorganoheterocyclic compound1,2-diolalcoholpyran carboxylic acid or derivativeshydroxy acidoxacyclepyransecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidphenoxy compound |
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