| 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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