| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:51:03 UTC |
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| Update Date | 2025-03-21 18:02:55 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00041046 |
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| Frequency | 83.9 |
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| Structure | |
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| Chemical Formula | C8H11NO4S |
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| Molecular Mass | 217.0409 |
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| SMILES | CN(C)c1ccccc1OS(=O)(=O)O |
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| InChI Key | OPLJKQDAHJQQKZ-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 | aniline and substituted anilinesdialkylarylamineshydrocarbon derivativesorganic oxidesorganooxygen compoundsorganopnictogen compoundsphenoxy compoundssulfuric acid monoesters |
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| Substituents | monocyclic benzene moietysulfuric acid monoesteraniline or substituted anilinesaromatic homomonocyclic compoundphenylsulfateorganic oxideorganic oxygen compoundtertiary aliphatic/aromatic amineorganonitrogen compoundorganopnictogen compoundsulfate-esterhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compounddialkylarylaminesulfuric acid esteraminetertiary amineorganooxygen compound |
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