| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:39:22 UTC |
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| Update Date | 2025-03-25 00:46:17 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02154354 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H16O8S |
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| Molecular Mass | 344.0566 |
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| SMILES | COc1cc(C=CC(=O)CCCC(=O)OS(=O)(=O)O)ccc1O |
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| InChI Key | RXGQSUCVWKUDCC-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 compoundsalkyl aryl ethersanisolesenoneshydrocarbon derivativesketonesmethoxybenzenesmethoxyphenolsmonocarboxylic acids and derivativesorganic oxidesphenoxy compoundssulfuric acid monoesters |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupsulfuric acid monoesterether1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl etheralpha,beta-unsaturated ketonecarboxylic acid derivativeketoneorganic oxideenoneorganic sulfuric acid or derivativesmethoxybenzenehydroxycinnamic acidaromatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundanisolephenolhydrocarbon derivativebenzenoidacryloyl-groupphenoxy compoundsulfuric acid esterorganooxygen compound |
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