| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:54:54 UTC |
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| Update Date | 2025-03-25 00:51:50 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02189710 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H24O9 |
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| Molecular Mass | 384.142 |
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| SMILES | CC(C)Cc1ccc(OCC(=O)OC2OC(C(=O)O)C(O)C(O)C2O)cc1 |
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| InChI Key | FDNQEVFSGYSXAK-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 | acetalsalkyl aryl ethersbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativesglucuronic acid derivativeshydrocarbon derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanesphenol ethersphenoxy compoundsphenoxyacetic acid derivativesphenylpropanespyran carboxylic acidssecondary alcohols |
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| Substituents | phenol ethermonocyclic benzene moietyphenoxyacetatecarbonyl groupethercarboxylic acidaromatic heteromonocyclic compoundo-glucuronidemonosaccharidealkyl aryl ethercarboxylic acid derivativepyran carboxylic acidphenylpropane1-o-glucuronidebeta-hydroxy acidorganic oxideacetaloxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativeshydroxy acidoxacyclepyrancarboxylic acid estersecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidphenoxy compound |
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