| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:56:53 UTC |
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| Update Date | 2025-03-25 00:52:29 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02194090 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H12N2O5S2 |
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| Molecular Mass | 292.0188 |
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| SMILES | CNC(=S)Nc1ccc(OS(=O)(=O)O)cc1OC |
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| InChI Key | VXOMSNHTJRJQHE-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 ethersanisoleshydrocarbon derivativesmethoxybenzenesn-phenylthioureasorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenoxy compoundssulfuric acid monoestersthioureas |
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| Substituents | phenol ethermonocyclic benzene moietysulfuric acid monoesterthioureaethern-phenylthioureaalkyl aryl etherorganosulfur compoundphenylsulfateorganic oxideorganonitrogen compoundorganopnictogen compoundmethoxybenzenearomatic homomonocyclic compoundorganic oxygen compoundanisolesulfate-esterhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundsulfuric acid esterorganooxygen compound |
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