| Record Information |
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| HMDB Status | predicted |
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| Creation Date | 2024-02-20 23:35:41 UTC |
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| Update Date | 2025-03-21 17:57:04 UTC |
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| HMDB ID | HMDB0127996 |
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| Metabolite Identification |
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| DeepMet ID | DMID00005424 |
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| Name | 3-[3,5-dihydroxy-4-(sulfooxy)phenyl]prop-2-enoic acid |
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| Frequency | 986.6 |
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| Structure | |
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| Chemical Formula | C9H8O8S |
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| Molecular Mass | 275.994 |
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| SMILES | O=C(O)C=Cc1cc(O)c(OS(=O)(=O)O)c(O)c1 |
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| InChI Key | VDEZRQVUHWHREU-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 | hydroxycinnamic acids and derivatives |
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| Direct Parent | hydroxycinnamic acids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesphenoxy compoundsphenylsulfatesresorcinolssulfuric acid monoesters |
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| Substituents | monocyclic benzene moietycarbonyl groupsulfuric acid monoestercarboxylic acid1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativeresorcinolphenylsulfateorganic oxidearylsulfateorganic sulfuric acid or derivatives1-hydroxy-4-unsubstituted benzenoidhydroxycinnamic acidaromatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundsulfate-esterphenolhydrocarbon derivativebenzenoidphenoxy compoundsulfuric acid esterorganooxygen compound |
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