| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:37:43 UTC |
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| Update Date | 2025-03-25 00:45:39 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02150465 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H15NO7S |
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| Molecular Mass | 293.0569 |
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| SMILES | COc1c(OS(=O)(=O)O)ccc(C(O)CN)c1OC |
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| InChI Key | QXKSUSQPIVXVFY-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 | alkyl aryl ethersanisolesaromatic alcoholsdimethoxybenzeneshydrocarbon derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenoxy compoundssecondary alcoholssulfuric acid monoesters |
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| Substituents | aromatic alcoholphenol ethermonocyclic benzene moietysulfuric acid monoesteretheralkyl aryl etherdimethoxybenzenephenylsulfateorganic oxideo-dimethoxybenzeneorganonitrogen compoundorganopnictogen compoundalcoholmethoxybenzenearomatic homomonocyclic compoundorganic oxygen compoundanisolesecondary alcoholsulfate-esterhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundphenoxy compoundsulfuric acid esterorganooxygen compound |
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