| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:50:46 UTC |
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| Update Date | 2025-03-25 00:50:20 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02180279 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H14O6S |
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| Molecular Mass | 286.0511 |
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| SMILES | COc1cc(C=CC(C)=O)ccc1OS(=O)(=O)OC |
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| InChI Key | DEJSWYRANLAFCY-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 | acryloyl compoundsalkyl aryl ethersalkyl sulfatesanisolesarylsulfatesenoneshydrocarbon derivativesketonesmethoxybenzenesorganic oxidesphenoxy compoundssulfuric acid diesters |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupetheralkyl aryl etheralpha,beta-unsaturated ketoneketonecinnamic acid or derivativesorganic oxidesulfuric acid diesteralkyl sulfatearylsulfateenoneorganic sulfuric acid or derivativesmethoxybenzenearomatic homomonocyclic compoundorganic oxygen compoundanisolehydrocarbon derivativebenzenoidacryloyl-groupphenoxy compoundsulfuric acid esterorganooxygen compound |
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