| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:06:31 UTC |
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| Update Date | 2025-03-25 00:56:08 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02216364 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H13NO6S |
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| Molecular Mass | 275.0464 |
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| SMILES | CCC(O)C(=O)Nc1ccc(OS(=O)(=O)O)cc1 |
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| InChI Key | SPLCMOKEJOPURF-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 | anilidescarbonyl compoundscarboxylic acids and derivativesfatty amideshydrocarbon derivativesn-arylamidesorganic oxidesorganopnictogen compoundsphenoxy compoundssecondary alcoholssecondary carboxylic acid amidessulfuric acid monoesters |
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| Substituents | fatty acylmonocyclic benzene moietysulfuric acid monoestercarbonyl groupfatty amiden-arylamidecarboxylic acid derivativephenylsulfateorganic oxideorganonitrogen compoundorganopnictogen compoundalcoholcarboxamide grouparomatic homomonocyclic compoundanilidesecondary carboxylic acid amideorganic oxygen compoundsecondary alcoholsulfate-esterhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundsulfuric acid esterorganooxygen compound |
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