| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:49:45 UTC |
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| Update Date | 2025-03-25 00:49:59 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02177967 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H15NO4S |
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| Molecular Mass | 305.0722 |
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| SMILES | Cc1ncc(CSc2ccccc2C(=O)O)c(CO)c1O |
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| InChI Key | TYGDXLQALZKXOZ-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 | o-sulfanylbenzoic acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compounds2-halopyridinesalkylarylthioethersaromatic alcoholsazacyclic compoundsbenzoic acidsbenzoyl derivativesheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspolyhalopyridinessulfenyl compoundsthiophenol ethersthiophenolsvinylogous thioesters |
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| Substituents | aromatic alcoholcarboxylic acidaromatic heteromonocyclic compoundpolyhalopyridinebenzoylalkylarylthioetherorganosulfur compoundcarboxylic acid derivativearyl thioetherorganic oxidethiophenolo-sulfanylbenzoic acidthiophenol etherorganonitrogen compoundorganopnictogen compound1-carboxy-2-haloaromatic compound2-halopyridinebenzoic acidorganoheterocyclic compoundalcoholvinylogous thioestersulfenyl compoundazacycleheteroaromatic compoundhydroxypyridinemonocarboxylic acid or derivativespyridineorganic oxygen compoundthioetherhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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