| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:49:49 UTC |
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| Update Date | 2025-03-25 00:50:00 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02178111 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H9NO5S |
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| Molecular Mass | 231.0201 |
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| SMILES | COC(=O)c1ccccc1NS(=O)(=O)O |
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| InChI Key | NCBMFSAXWDBMEU-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | benzoic acids and derivatives |
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| Direct Parent | benzoic acid esters |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | benzoyl derivativeshydrocarbon derivativesmethyl estersmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundssulfanilidessulfuric acid monoamidesvinylogous amides |
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| Substituents | vinylogous amideorganic sulfuric acid or derivativesbenzoylbenzoate estercarboxylic acid derivativearomatic homomonocyclic compoundsulfanilideorganic oxidemonocarboxylic acid or derivativesmethyl esterorganic oxygen compoundcarboxylic acid esterorganonitrogen compoundsulfuric acid monoamideorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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