| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:47 UTC |
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| Update Date | 2025-03-25 00:46:03 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02152960 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H9NO4S |
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| Molecular Mass | 227.0252 |
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| SMILES | NC(=O)CS(=O)c1ccc(C(=O)O)cc1 |
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| InChI Key | RYKARMFDXLNUCN-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 | p-sulfanylbenzoic acids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | benzoic acidsbenzoyl derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenyl sulfoxidesprimary carboxylic acid amidessulfinyl compoundssulfoxides |
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| Substituents | primary carboxylic acid amidecarbonyl groupcarboxylic acidbenzoylorganosulfur compoundcarboxylic acid derivativeorganic oxidephenyl sulfoxidesulfinyl compoundorganonitrogen compoundorganopnictogen compoundbenzoic acidcarboxamide groupp-sulfanylbenzoic acidaromatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundsulfoxidehydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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