| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:15:28 UTC |
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| Update Date | 2025-03-25 00:59:22 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02236637 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C19H20O9S |
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| Molecular Mass | 424.0828 |
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| SMILES | COc1cc(C=CC(=O)CCc2ccc(O)c(O)c2)cc(OC)c1OS(=O)(=O)O |
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| InChI Key | JQDIAHICXIZEDF-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 | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsacryloyl compoundsalkyl aryl ethersanisolesdimethoxybenzenesenoneshydrocarbon derivativesketonesorganic oxidesphenoxy compoundsphenylsulfatessulfuric acid monoesters |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupsulfuric acid monoesterether1-hydroxy-2-unsubstituted benzenoidalkyl aryl etheralpha,beta-unsaturated ketoneketonedimethoxybenzenephenylsulfatecinnamic acid or derivativesorganic oxidearylsulfateenoneorganic sulfuric acid or derivatives1-hydroxy-4-unsubstituted benzenoidmethoxybenzenearomatic homomonocyclic compoundorganic oxygen compoundm-dimethoxybenzeneanisolesulfate-esterphenolhydrocarbon derivativebenzenoidacryloyl-groupphenoxy compoundsulfuric acid esterorganooxygen compound |
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