| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:49:03 UTC |
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| Update Date | 2025-03-25 00:49:44 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02176316 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H14O9S |
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| Molecular Mass | 334.0359 |
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| SMILES | CC1(O)CC(=O)OC1Cc1cc(O)c(OS(=O)(=O)O)c(O)c1 |
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| InChI Key | NJCCTQHWHKCEMX-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | organic sulfuric acids and derivatives |
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| Subclass | arylsulfates |
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| Direct Parent | phenylsulfates |
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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 estersgamma butyrolactoneshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesoxacyclic compoundsphenoxy compoundsresorcinolssulfuric acid monoesterstertiary alcoholstetrahydrofurans |
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| Substituents | monocyclic benzene moietysulfuric acid monoestercarbonyl grouparomatic heteromonocyclic compound1-hydroxy-2-unsubstituted benzenoidmonosaccharidecarboxylic acid derivativeresorcinollactonephenylsulfatesaccharideorganic oxideorganoheterocyclic compoundalcoholtetrahydrofuran1-hydroxy-4-unsubstituted benzenoidgamma butyrolactoneoxacycletertiary alcoholmonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid estersulfate-esterphenolhydrocarbon derivativebenzenoidphenoxy compoundsulfuric acid esterorganooxygen compound |
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