| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:08:28 UTC |
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| Update Date | 2025-03-25 00:56:49 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02220960 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H16O9S |
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| Molecular Mass | 396.0515 |
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| SMILES | O=C1CCC(Cc2cc(O)c(OS(=O)(=O)O)c(Oc3ccccc3O)c2)O1 |
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| InChI Key | VFNVDIDECGSPAQ-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | diphenylethers |
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| Direct Parent | diphenylethers |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidscarbonyl compoundscarboxylic acid estersdiarylethersgamma butyrolactoneshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundsphenol ethersphenoxy compoundsphenylsulfatessulfuric acid monoesterstetrahydrofurans |
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| Substituents | diaryl etherphenol ethersulfuric acid monoestercarbonyl groupetheraromatic heteromonocyclic compound1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativelactonephenylsulfateorganic oxidearylsulfateorganoheterocyclic compoundorganic sulfuric acid or derivativestetrahydrofuran1-hydroxy-4-unsubstituted benzenoidgamma butyrolactoneoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid estersulfate-esterphenolhydrocarbon derivativephenoxy compoundsulfuric acid esterdiphenyletherorganooxygen compound |
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