| Record Information |
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| HMDB Status | predicted |
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| Creation Date | 2024-02-21 15:21:01 UTC |
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| Update Date | 2025-03-25 01:01:27 UTC |
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| HMDB ID | HMDB0135695 |
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| Metabolite Identification |
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| DeepMet ID | DMID02249414 |
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| Name | [4-(4-hydroxy-3-oxobut-1-en-1-yl)-2-methoxyphenyl]oxidanesulfonic acid |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H12O7S |
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| Molecular Mass | 288.0304 |
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| SMILES | COc1cc(C=CC(=O)CO)ccc1OS(=O)(=O)O |
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| InChI Key | JAJHTYJDCXPTIU-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 compoundsalcohols and polyolsalkyl aryl ethersalpha-hydroxy ketonesanisolesenoneshydrocarbon derivativesmethoxybenzenesorganic oxidesphenoxy compoundsphenylsulfatessulfuric acid monoesters |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupsulfuric acid monoesteretheralkyl aryl etheralpha,beta-unsaturated ketonealpha-hydroxy ketoneketonephenylsulfatecinnamic acid or derivativesorganic oxidearylsulfateenonealcoholorganic sulfuric acid or derivativesmethoxybenzenearomatic homomonocyclic compoundorganic oxygen compoundanisolesulfate-esterhydrocarbon derivativebenzenoidacryloyl-groupphenoxy compoundsulfuric acid esterorganooxygen compound |
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