| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:49:41 UTC |
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| Update Date | 2025-03-25 00:49:57 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02177812 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H12O8S |
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| Molecular Mass | 280.0253 |
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| SMILES | COc1c(C(O)CO)ccc(O)c1OS(=O)(=O)O |
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| InChI Key | CXTIKABUKKFIID-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | organic sulfuric acids and derivatives |
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| Subclass | arylsulfates |
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| Direct Parent | phenylsulfates |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1,2-diols1-hydroxy-2-unsubstituted benzenoidsalkyl aryl ethersanisolesaromatic alcoholshydrocarbon derivativesmethoxybenzenesmethoxyphenolsorganic oxidesphenoxy compoundsprimary alcoholssecondary alcoholssulfuric acid monoesters |
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| Substituents | aromatic alcoholphenol ethermonocyclic benzene moietysulfuric acid monoesterethermethoxyphenol1-hydroxy-2-unsubstituted benzenoidalkyl aryl etherphenylsulfateorganic oxideprimary alcohol1,2-diolalcoholmethoxybenzenearomatic homomonocyclic compoundorganic oxygen compoundanisolesecondary alcoholsulfate-esterphenolhydrocarbon derivativebenzenoidphenoxy compoundsulfuric acid esterorganooxygen compound |
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