| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:11:08 UTC |
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| Update Date | 2025-03-21 18:32:00 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00088730 |
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| Frequency | 31.9 |
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| Structure | |
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| Chemical Formula | C18H20O10 |
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| Molecular Mass | 396.1056 |
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| SMILES | O=C1CCC(Cc2cccc(OC3OC(C(=O)O)C(C(=O)O)C(O)C3O)c2)O1 |
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| InChI Key | JHESIBMXLSJKPI-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 acid esterscarboxylic acidsgamma butyrolactoneshydrocarbon derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanesphenol ethersphenoxy compoundspyran carboxylic acidssecondary alcoholstetrahydrofuranstricarboxylic acids and derivatives |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupcarboxylic acidglucuronic acid or derivativesaromatic heteromonocyclic compoundmonosaccharidetricarboxylic acid or derivativescarboxylic acid derivativepyran carboxylic acidlactonebeta-hydroxy acidorganic oxideacetaloxaneorganoheterocyclic compound1,2-diolalcoholpyran carboxylic acid or derivativestetrahydrofuranhydroxy acidgamma butyrolactoneoxacyclepyrancarboxylic acid estersecondary alcoholhydrocarbon derivativebenzenoidphenoxy compound |
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