Record Information |
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HMDB Status | Not Available |
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Creation Date | 2024-02-21 14:37:46 UTC |
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Update Date | 2025-03-25 00:45:40 UTC |
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HMDB ID | Not Available |
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Metabolite Identification |
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DeepMet ID | DMID02150600 |
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Frequency | 0.5 |
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Structure | |
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Chemical Formula | C13H14O9S |
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Molecular Mass | 346.0359 |
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SMILES | COc1cc(CCC2OC(=O)C(O)=C2OS(=O)(=O)O)ccc1O |
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InChI Key | YBFZWCLJJIKEEO-UHFFFAOYSA-N |
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Chemical Taxonomy |
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Kingdom | organic compounds |
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Superclass | benzenoids |
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Class | phenols |
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Subclass | methoxyphenols |
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Direct Parent | methoxyphenols |
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Geometric Descriptor | aromatic heteromonocyclic compounds |
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Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalkyl aryl ethersanisolesbutenolidescarbonyl compoundsdihydrofuransenoate estershydrocarbon derivativeslactonesmethoxybenzenesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesoxacyclic compoundsphenoxy compoundssulfuric acid monoesters |
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Substituents | phenol ethermonocyclic benzene moietysulfuric acid monoestercarbonyl groupetheraromatic heteromonocyclic compound1-hydroxy-2-unsubstituted benzenoidmethoxyphenolmonosaccharidealkyl aryl ethercarboxylic acid derivativelactonealpha,beta-unsaturated carboxylic ester2-furanonesaccharideorganic oxideorganoheterocyclic compounddihydrofuranenoate esterorganic sulfuric acid or derivativesmethoxybenzeneoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundanisolecarboxylic acid estersulfate-esterhydrocarbon derivativephenoxy compoundsulfuric acid esterorganooxygen compound |
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