| Record Information |
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| HMDB Status | predicted |
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| Creation Date | 2024-02-21 00:26:21 UTC |
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| Update Date | 2025-03-21 18:39:24 UTC |
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| HMDB ID | HMDB0131180 |
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| Metabolite Identification |
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| DeepMet ID | DMID00125487 |
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| Name | {4-[(1E)-3-methoxy-3-oxoprop-1-en-1-yl]phenyl}oxidanesulfonic acid |
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| Frequency | 20.4 |
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| Structure | |
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| Chemical Formula | C10H10O6S |
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| Molecular Mass | 258.0198 |
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| SMILES | COC(=O)C=Cc1ccc(OS(=O)(=O)O)cc1 |
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| InChI Key | RNXDKKDNSGPZFR-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 compoundsenoate estersfatty acid estershydrocarbon derivativesmethyl estersmonocarboxylic acids and derivativesorganic oxidesphenoxy compoundsphenylsulfatessulfuric acid monoesters |
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| Substituents | fatty acylmonocyclic benzene moietycarbonyl groupsulfuric acid monoestercarboxylic acid derivativephenylsulfatealpha,beta-unsaturated carboxylic estercinnamic acid or derivativesorganic oxidemethyl esterarylsulfateenoate esterorganic sulfuric acid or derivativesaromatic homomonocyclic compoundfatty acid estermonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid estersulfate-esterhydrocarbon derivativebenzenoidphenoxy compoundsulfuric acid esterorganooxygen compound |
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