| Record Information |
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| HMDB Status | predicted |
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| Creation Date | 2024-02-20 23:34:20 UTC |
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| Update Date | 2025-03-21 17:56:35 UTC |
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| HMDB ID | HMDB0124975 |
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| Metabolite Identification |
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| DeepMet ID | DMID00002221 |
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| Name | (2E)-3-[3-(sulfooxy)phenyl]prop-2-enoic acid |
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| Frequency | 2739.5 |
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| Structure | |
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| Chemical Formula | C9H8O6S |
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| Molecular Mass | 244.0042 |
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| SMILES | O=C(O)C=Cc1cccc(OS(=O)(=O)O)c1 |
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| InChI Key | YPXHXDXMTWPQTO-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 | cinnamic acids and derivatives |
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| Subclass | cinnamic acids and derivatives |
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| Direct Parent | cinnamic acids and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesphenoxy compoundsphenylsulfatessulfuric acid monoesters |
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| Substituents | monocyclic benzene moietycarbonyl groupsulfuric acid monoestercarboxylic acidorganic sulfuric acid or derivativescarboxylic acid derivativearomatic homomonocyclic compoundphenylsulfatecinnamic acid or derivativesorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundsulfate-esterhydrocarbon derivativearylsulfatebenzenoidphenoxy compoundsulfuric acid esterorganooxygen compound |
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