| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:45:10 UTC |
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| Update Date | 2025-03-21 18:00:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00027060 |
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| Frequency | 140.7 |
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| Structure | |
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| Chemical Formula | C9H10O8S |
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| Molecular Mass | 278.0096 |
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| SMILES | O=C(O)CC(O)c1ccc(O)c(OS(=O)(=O)O)c1 |
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| InChI Key | ILIFYHHVFDSADQ-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | phenylpropanoids and polyketides |
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| Class | phenylpropanoic acids |
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| Subclass | phenylpropanoic acids |
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| Direct Parent | phenylpropanoic acids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsaromatic alcoholsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesphenoxy compoundsphenylsulfatessecondary alcoholssulfuric acid monoesters |
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| Substituents | aromatic alcoholmonocyclic benzene moietysulfuric acid monoestercarbonyl groupcarboxylic acid3-phenylpropanoic-acid1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativephenylsulfatebeta-hydroxy acidorganic oxidearylsulfatealcoholorganic sulfuric acid or derivativeshydroxy acidaromatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholsulfate-esterphenolhydrocarbon derivativebenzenoidphenoxy compoundsulfuric acid esterorganooxygen compound |
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