| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:21:00 UTC |
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| Update Date | 2025-03-25 01:01:27 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02249390 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H18N2O7S2 |
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| Molecular Mass | 390.0555 |
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| SMILES | COc1cc(CC2SCC3NC(=O)NC32)cc(OC)c1OS(=O)(=O)O |
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| InChI Key | XKWUWXWDIMFFCP-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 heteropolycyclic compounds |
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| Alternative Parents | alkyl aryl ethersanisolesazacyclic compoundscarbonyl compoundsdialkylthioethersdimethoxybenzeneshydrocarbon derivativesimidazolidinonesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenoxy compoundssulfuric acid monoestersthienoimidazolidinesthiolanesthiophenes |
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| Substituents | thiolaneimidazolidinephenol ethermonocyclic benzene moietysulfuric acid monoestercarbonyl groupetheralkyl aryl etherthiophenedimethoxybenzenephenylsulfateimidazolidinoneorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundcarbonic acid derivativeazacycledialkylthioetherthienoimidazolidinemethoxybenzeneorganic oxygen compoundm-dimethoxybenzenethioetheranisolesulfate-esterhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundsulfuric acid esterorganooxygen compound |
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