| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:39:01 UTC |
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| Update Date | 2025-03-25 00:46:08 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02153525 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H10O10S2 |
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| Molecular Mass | 353.9715 |
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| SMILES | COc1ccc(C=CC(=O)OS(=O)(=O)O)cc1OS(=O)(=O)O |
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| InChI Key | YNYSQNLECCZMHX-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 | alkyl aryl ethersanisolescarbonyl compoundshydrocarbon derivativesmethoxybenzenesmonocarboxylic acids and derivativesorganic oxidesphenoxy compoundsphenylsulfatessulfuric acid monoesters |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupsulfuric acid monoesteretherorganic sulfuric acid or derivativesalkyl aryl ethercarboxylic acid derivativemethoxybenzenearomatic homomonocyclic compoundphenylsulfatecinnamic acid or derivativesorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundanisolesulfate-esterhydrocarbon derivativearylsulfatebenzenoidphenoxy compoundsulfuric acid esterorganooxygen compound |
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