| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:12:55 UTC |
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| Update Date | 2025-03-25 00:58:27 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02230821 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H20O7S |
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| Molecular Mass | 344.093 |
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| SMILES | CCCCCCOC(=O)C=Cc1ccc(OS(=O)(=O)O)c(O)c1 |
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| InChI Key | JTIWWNRRNLYPOQ-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 compoundsenoate estersfatty acid estershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesphenoxy compoundsphenylsulfatessulfuric acid monoesters |
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| Substituents | fatty acylmonocyclic benzene moietycarbonyl groupsulfuric acid monoester1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativephenylsulfatealpha,beta-unsaturated carboxylic esterorganic oxidearylsulfateenoate esterorganic sulfuric acid or derivatives1-hydroxy-4-unsubstituted benzenoidhydroxycinnamic acidaromatic homomonocyclic compoundfatty acid estermonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid estersulfate-esterphenolhydrocarbon derivativebenzenoidphenoxy compoundsulfuric acid esterorganooxygen compound |
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