| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:15:01 UTC |
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| Update Date | 2025-03-25 00:59:12 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02235683 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H16O12S |
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| Molecular Mass | 420.0362 |
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| SMILES | COc1cc(C=CC(=O)OC(CC(=O)O)C(=O)O)cc(OC)c1OS(=O)(=O)O |
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| InChI Key | AKPYMMLKQIEHAF-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 compoundscarboxylic acidsdimethoxybenzenesenoate estersfatty acid estershydrocarbon derivativesorganic oxidesphenoxy compoundsphenylsulfatessulfuric acid monoesterstricarboxylic acids and derivatives |
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| Substituents | fatty acylphenol ethermonocyclic benzene moietycarbonyl groupsulfuric acid monoesterethercarboxylic acidtricarboxylic acid or derivativesalkyl aryl ethercarboxylic acid derivativedimethoxybenzenephenylsulfatealpha,beta-unsaturated carboxylic estercinnamic acid or derivativesorganic oxidearylsulfateenoate esterorganic sulfuric acid or derivativesmethoxybenzenearomatic homomonocyclic compoundfatty acid esterorganic oxygen compoundm-dimethoxybenzeneanisolecarboxylic acid estersulfate-esterhydrocarbon derivativebenzenoidphenoxy compoundsulfuric acid esterorganooxygen compound |
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