| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:03:12 UTC |
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| Update Date | 2025-03-21 18:07:30 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00069820 |
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| Frequency | 43.2 |
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| Structure | |
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| Chemical Formula | C13H16O8S |
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| Molecular Mass | 332.0566 |
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| SMILES | COS(=O)(=O)OCOc1cc(O)cc(CC2CCC(=O)O2)c1 |
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| InChI Key | XZHFJSXNKFIADP-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 | phenol ethers |
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| Subclass | phenol ethers |
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| Direct Parent | phenol ethers |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalkyl sulfatescarbonyl compoundscarboxylic acid estersgamma butyrolactoneshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundsphenoxy compoundssulfuric acid diesterstetrahydrofurans |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl grouparomatic heteromonocyclic compound1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativelactoneorganic oxidesulfuric acid diesteralkyl sulfateorganoheterocyclic compoundorganic sulfuric acid or derivativestetrahydrofuran1-hydroxy-4-unsubstituted benzenoidgamma butyrolactoneoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterphenolhydrocarbon derivativephenoxy compoundsulfuric acid esterorganooxygen compound |
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