| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:22:25 UTC |
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| Update Date | 2025-03-25 01:01:55 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02252623 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H7NO3S |
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| Molecular Mass | 197.0147 |
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| SMILES | NC(=O)Sc1ccccc1C(=O)O |
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| InChI Key | NESYMFLSUSNBNY-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 homomonocyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compoundsaryl thioethersbenzoic acidsbenzoyl derivativescarbonyl compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssulfenyl compoundsthiolactones |
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| Substituents | carbonyl groupcarboxylic acidbenzoylorganosulfur compoundcarboxylic acid derivativearyl thioetherorganic oxideo-sulfanylbenzoic acidorganonitrogen compoundorganopnictogen compound1-carboxy-2-haloaromatic compoundbenzoic acidthiolactonecarbonic acid derivativesulfenyl compoundaromatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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