Record Information |
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HMDB Status | Not Available |
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Creation Date | 2024-02-21 00:15:27 UTC |
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Update Date | 2025-03-21 18:34:05 UTC |
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HMDB ID | Not Available |
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Metabolite Identification |
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DeepMet ID | DMID00099172 |
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Frequency | 27.7 |
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Structure | |
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Chemical Formula | C20H18O8S |
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Molecular Mass | 418.0722 |
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SMILES | COc1cc(C=CC(=O)CC(=O)C=Cc2ccc(OS(=O)(=O)O)cc2)ccc1O |
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InChI Key | KHLJXHPGKCYUEQ-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 | diarylheptanoids |
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Subclass | linear diarylheptanoids |
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Direct Parent | curcuminoids |
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Geometric Descriptor | aromatic homomonocyclic compounds |
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Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsacryloyl compoundsalkyl aryl ethersanisolesenoneshydrocarbon derivativeshydroxycinnamic acidsketonesmethoxybenzenesmethoxyphenolsorganic oxidesphenoxy compoundsphenylsulfatessulfuric acid monoesters |
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Substituents | phenol ethermonocyclic benzene moietycarbonyl groupsulfuric acid monoesterether1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl etheralpha,beta-unsaturated ketonehydroxycinnamic acid or derivativesketonephenylsulfatecinnamic acid or derivativesorganic oxidearylsulfateenonedesmethoxycurcuminorganic sulfuric acid or derivativesmethoxybenzenehydroxycinnamic acidaromatic homomonocyclic compoundorganic oxygen compoundanisolesulfate-esterphenolhydrocarbon derivativebenzenoidacryloyl-groupphenoxy compoundsulfuric acid esterorganooxygen compound |
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