| Record Information |
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| HMDB Status | predicted |
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| Creation Date | 2024-02-21 00:07:31 UTC |
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| Update Date | 2025-03-21 18:29:56 UTC |
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| HMDB ID | HMDB0135674 |
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| Metabolite Identification |
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| DeepMet ID | DMID00080279 |
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| Name | [2-methoxy-4-(3-oxobut-1-en-1-yl)phenyl]oxidanesulfonic acid |
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| Frequency | 36.2 |
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| Structure | |
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| Chemical Formula | C11H12O6S |
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| Molecular Mass | 272.0355 |
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| SMILES | COc1cc(C=CC(C)=O)ccc1OS(=O)(=O)O |
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| InChI Key | JAGJXKRXEZHPAY-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 compoundsalkyl aryl ethersanisolesenoneshydrocarbon derivativesketonesmethoxybenzenesorganic oxidesphenoxy compoundsphenylsulfatessulfuric acid monoesters |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupsulfuric acid monoesteretheralkyl aryl etheralpha,beta-unsaturated ketoneketonephenylsulfatecinnamic acid or derivativesorganic oxidearylsulfateenoneorganic sulfuric acid or derivativesmethoxybenzenearomatic homomonocyclic compoundorganic oxygen compoundanisolesulfate-esterhydrocarbon derivativebenzenoidacryloyl-groupphenoxy compoundsulfuric acid esterorganooxygen compound |
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