| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:08:53 UTC |
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| Update Date | 2025-03-21 18:30:54 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00083517 |
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| Frequency | 34.4 |
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| Structure | |
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| Chemical Formula | C11H12O8S |
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| Molecular Mass | 304.0253 |
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| SMILES | COc1cc(C=CC(=O)OCOS(=O)(=O)O)ccc1O |
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| InChI Key | LCCMYQTXQKLDIW-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 benzenoidsalkyl aryl ethersalkyl sulfatesanisolescarbonyl compoundsenoate estersfatty acid estershydrocarbon derivativesmethoxybenzenesmethoxyphenolsmonocarboxylic acids and derivativesorganic oxidesphenoxy compoundssulfuric acid monoesters |
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| Substituents | fatty acylphenol ethermonocyclic benzene moietycarbonyl groupsulfuric acid monoesterether1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl ethercarboxylic acid derivativealpha,beta-unsaturated carboxylic esterorganic oxidealkyl sulfateenoate esterorganic sulfuric acid or derivativesmethoxybenzenehydroxycinnamic acidaromatic homomonocyclic compoundfatty acid estermonocarboxylic acid or derivativesorganic oxygen compoundanisolecarboxylic acid estersulfate-esterphenolhydrocarbon derivativebenzenoidphenoxy compoundsulfuric acid esterorganooxygen compound |
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