| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:00:36 UTC |
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| Update Date | 2025-03-25 00:53:53 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02202601 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C19H22O11S |
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| Molecular Mass | 458.0883 |
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| SMILES | O=C(OCC(O)CCC(O)Cc1ccc(O)c(O)c1)c1ccc(OS(=O)(=O)O)c(O)c1 |
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| InChI Key | HKBUMGNKSWNAIM-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 | benzoic acids and derivatives |
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| Direct Parent | m-hydroxybenzoic acid esters |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsbenzoyl derivativescarboxylic acid estershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesphenoxy compoundsphenylsulfatessecondary alcoholssulfuric acid monoesters |
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| Substituents | sulfuric acid monoesterbenzoyl1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativephenylsulfateorganic oxidearylsulfatem-hydroxybenzoic acid esteralcoholorganic sulfuric acid or derivatives1-hydroxy-4-unsubstituted benzenoidaromatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid estersecondary alcoholsulfate-esterphenolhydrocarbon derivativephenoxy compoundsulfuric acid esterorganooxygen compound |
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