| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:29:34 UTC |
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| Update Date | 2025-03-21 18:41:13 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00133086 |
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| Frequency | 19.0 |
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| Structure | |
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| Chemical Formula | C15H15NO6S |
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| Molecular Mass | 337.062 |
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| SMILES | COc1ccnc(CS(=O)(=O)c2ccc(C(=O)O)cc2)c1OC |
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| InChI Key | WBHWZLCIZCWXIP-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 acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 2-halopyridinesalkyl aryl ethersazacyclic compoundsbenzenesulfonyl compoundsbenzoyl derivativescarboxylic acidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmethylpyridinesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspolyhalopyridinessulfones |
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| Substituents | ethercarboxylic acidaromatic heteromonocyclic compoundpolyhalopyridinebenzoylalkyl aryl etherorganosulfur compoundcarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compound2-halopyridinebenzoic acidorganoheterocyclic compoundbenzenesulfonyl groupazacycleheteroaromatic compoundhydroxypyridinemethylpyridinemonocarboxylic acid or derivativessulfonylpyridineorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundsulfone |
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