| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:05:26 UTC |
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| Update Date | 2025-03-25 00:55:44 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02213937 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H18N2O4S2 |
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| Molecular Mass | 318.0708 |
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| SMILES | CCN(CC)CC(=S)Nc1ccc(OS(=O)(=O)O)cc1 |
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| InChI Key | KMVIEUPQLRALLG-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 | carbonyl compoundshydrocarbon derivativesorganic oxidesorganopnictogen compoundsphenoxy compoundssulfuric acid monoestersthioamidesthiocarbonyl compoundsthiocarboxylic acid amidestrialkylamines |
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| Substituents | monocyclic benzene moietysulfuric acid monoestercarbonyl groupthiocarbonyl grouporganosulfur compoundphenylsulfateorganic oxidethioamideorganonitrogen compoundorganopnictogen compoundtertiary aminethiocarboxylic acid amidetertiary aliphatic aminearomatic homomonocyclic compoundorganic oxygen compoundsulfate-esterhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundsulfuric acid esteramineorganooxygen compound |
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