| 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 00:46:09 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02153522 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H14O5S |
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| Molecular Mass | 282.0562 |
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| SMILES | COc1ccc(C=CC(=O)SCC(=O)O)cc1OC |
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| InChI Key | JAPMXAOILRPXAL-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 compoundscarbothioic s-esterscarboxylic acidsdimethoxybenzeneshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesphenoxy compoundssulfenyl compoundsthioestersthiolactones |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidalkyl aryl etherorganosulfur compoundcarboxylic acid derivativecarbothioic s-esterdimethoxybenzenecinnamic acid or derivativesorganic oxideo-dimethoxybenzenethiolactonethiocarboxylic acid or derivativessulfenyl compoundthiocarboxylic acid estermethoxybenzenearomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundanisolehydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compound |
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