| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:01:05 UTC |
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| Update Date | 2025-03-25 00:54:03 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02203716 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H12O9S |
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| Molecular Mass | 308.0202 |
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| SMILES | O=C(O)CCC(O)c1cc(O)c(OS(=O)(=O)O)c(O)c1 |
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| InChI Key | PRODWARSTHBKLF-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 homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsaromatic alcoholscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesphenoxy compoundsresorcinolssecondary alcoholssulfuric acid monoesters |
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| Substituents | aromatic alcoholmonocyclic benzene moietysulfuric acid monoestercarbonyl groupcarboxylic acid1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativeresorcinolphenylsulfateorganic oxidealcohol1-hydroxy-4-unsubstituted benzenoidaromatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholsulfate-esterphenolhydrocarbon derivativebenzenoidphenoxy compoundsulfuric acid esterorganooxygen compound |
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