| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:51:02 UTC |
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| Update Date | 2025-03-25 00:50:26 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02180884 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H11NO8S |
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| Molecular Mass | 305.0205 |
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| SMILES | O=C(O)CCC(=O)Nc1ccc(OS(=O)(=O)O)c(O)c1 |
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| InChI Key | GMLQNCPCCYHXIO-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 | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsanilidescarbonyl compoundscarboxylic acidsfatty amideshydrocarbon derivativesmonocarboxylic acids and derivativesn-arylamidesorganic oxidesorganopnictogen compoundsphenoxy compoundssecondary carboxylic acid amidessulfuric acid monoesters |
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| Substituents | fatty acylmonocyclic benzene moietysulfuric acid monoestercarbonyl groupcarboxylic acidfatty amide1-hydroxy-2-unsubstituted benzenoidn-arylamidecarboxylic acid derivativephenylsulfateorganic oxideorganonitrogen compoundorganopnictogen compound1-hydroxy-4-unsubstituted benzenoidcarboxamide grouparomatic homomonocyclic compoundanilidesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundsulfate-esterphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundsulfuric acid esterorganooxygen compound |
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