| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:39:37 UTC |
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| Update Date | 2025-03-25 00:46:23 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02154959 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H16O8 |
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| Molecular Mass | 324.0845 |
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| SMILES | Cc1cc2ccc(OC3C(O)OC(C(=O)O)C(O)C3O)cc2o1 |
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| InChI Key | CLIODLLUUBLVAN-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 heteropolycyclic compounds |
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| Alternative Parents | 1,2-diolsalkyl aryl ethersbenzofuransbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsfuranshemiacetalsheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanesphenol etherspyran carboxylic acidssecondary alcohols |
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| Substituents | furanphenol ethercarbonyl groupethercarboxylic acidglucuronic acid or derivativesmonosaccharidealkyl aryl ethercarboxylic acid derivativepyran carboxylic acidbeta-hydroxy acidorganic oxidearomatic heteropolycyclic compoundhemiacetaloxaneorganoheterocyclic compound1,2-diolalcoholpyran carboxylic acid or derivativesbenzofuranheteroaromatic compoundhydroxy acidoxacyclemonocarboxylic acid or derivativespyransecondary alcoholhydrocarbon derivativebenzenoid |
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