| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:18:09 UTC |
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| Update Date | 2025-03-25 01:00:27 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02242770 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H12O7S |
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| Molecular Mass | 300.0304 |
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| SMILES | CC(=O)CC(=O)C=Cc1ccc(O)c(OS(=O)(=O)O)c1 |
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| InChI Key | PFPSZAGOAIECMF-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 benzenoidsacryloyl compoundsenoneshydrocarbon derivativesketonesorganic oxidesphenoxy compoundsphenylsulfatessulfuric acid monoesters |
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| Substituents | monocyclic benzene moietycarbonyl groupsulfuric acid monoester1-hydroxy-2-unsubstituted benzenoidalpha,beta-unsaturated ketoneketonephenylsulfateorganic oxidearylsulfateenoneorganic sulfuric acid or derivativeshydroxycinnamic acidaromatic homomonocyclic compoundorganic oxygen compoundsulfate-esterphenolhydrocarbon derivativebenzenoidacryloyl-groupphenoxy compoundsulfuric acid esterorganooxygen compound |
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