| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:02:09 UTC |
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| Update Date | 2025-03-25 00:54:25 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02206166 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H16N2O7S3 |
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| Molecular Mass | 396.012 |
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| SMILES | NC(CCSSCC(=O)Nc1ccccc1OS(=O)(=O)O)C(=O)O |
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| InChI Key | NDZFTRNQVWPQRF-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 | alpha amino acidsanilidescarbonyl compoundscarboxylic acidsdialkyldisulfidesfatty acylshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesn-arylamidesorganic oxidesorganopnictogen compoundsphenoxy compoundssecondary carboxylic acid amidessulfenyl compoundssulfuric acid monoestersthia fatty acids |
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| Substituents | fatty acylmonocyclic benzene moietysulfuric acid monoestercarbonyl groupcarboxylic acidn-arylamidealpha-amino acid or derivativesorganosulfur compoundcarboxylic acid derivativephenylsulfateorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundsulfenyl compoundcarboxamide grouparomatic homomonocyclic compoundanilidesecondary carboxylic acid amidedialkyldisulfidemonocarboxylic acid or derivativesthia fatty acidorganic oxygen compoundorganic disulfidesulfate-esterhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundphenoxy compoundsulfuric acid esterorganooxygen compound |
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