| Record Information |
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| HMDB Status | detected |
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| Creation Date | 2024-02-20 23:34:41 UTC |
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| Update Date | 2025-03-21 17:56:42 UTC |
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| HMDB ID | HMDB0041706 |
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| Metabolite Identification |
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| DeepMet ID | DMID00003060 |
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| Name | Caffeic acid 3-O-sulfate |
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| Frequency | 1932.0 |
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| Structure | |
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| Chemical Formula | C9H8O7S |
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| Molecular Mass | 259.9991 |
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| SMILES | O=C(O)C=Cc1ccc(O)c(OS(=O)(=O)O)c1 |
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| InChI Key | VWQNTRNACRFUCQ-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 benzenoidscarbonyl 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 derivatives1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativehydroxycinnamic acidaromatic homomonocyclic compoundphenylsulfateorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundsulfate-esterphenolhydrocarbon derivativearylsulfatebenzenoidphenoxy compoundsulfuric acid esterorganooxygen compound |
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