| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:07 UTC |
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| Update Date | 2025-03-25 00:45:49 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02151413 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H10N2O5S |
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| Molecular Mass | 318.031 |
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| SMILES | N#Cc1ccc(Oc2ccc(S(N)(=O)=O)cc2C(=O)O)cc1 |
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| InChI Key | SGEUXUFWBVWCKG-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 | diphenylethers |
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| Direct Parent | diphenylethers |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compoundsaminosulfonyl compoundsbenzenesulfonamidesbenzenesulfonyl compoundsbenzoic acidsbenzonitrilesbenzoyl derivativesdiarylethershydrocarbon derivativesmonocarboxylic acids and derivativesnitrilesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsorganosulfonamidesphenol ethersphenoxy compounds |
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| Substituents | diaryl etherphenol etherorganosulfonic acid or derivativesethernitrilecarboxylic acidbenzoylorganosulfur compoundcarboxylic acid derivativeorganosulfonic acid amideorganic oxideorganonitrogen compoundorganopnictogen compound1-carboxy-2-haloaromatic compoundbenzoic acidcarbonitrilebenzenesulfonyl groupbenzenesulfonamideaminosulfonyl compoundbenzoic acid or derivativesbenzonitrilearomatic homomonocyclic compoundmonocarboxylic acid or derivativessulfonylorganic oxygen compoundorganic sulfonic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundphenoxy compounddiphenyletherorganooxygen compound |
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