| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:22:56 UTC |
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| Update Date | 2025-03-25 01:02:06 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02253751 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H10O7S |
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| Molecular Mass | 274.0147 |
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| SMILES | O=C(C=Cc1ccc(O)c(O)c1)COS(=O)(=O)O |
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| InChI Key | QLSOLNRVAWIEBX-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 benzenoids1-hydroxy-4-unsubstituted benzenoidsacryloyl compoundsalkyl sulfatesbenzene and substituted derivativesenoneshydrocarbon derivativesketonesorganic oxidessulfuric acid monoesters |
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| Substituents | monocyclic benzene moietycarbonyl groupsulfuric acid monoesterorganic sulfuric acid or derivatives1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidalpha,beta-unsaturated ketonehydroxycinnamic acidketonearomatic homomonocyclic compoundorganic oxideorganic oxygen compoundalkyl sulfatesulfate-esterphenolhydrocarbon derivativebenzenoidacryloyl-groupsulfuric acid esterorganooxygen compoundenone |
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