| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:01:08 UTC |
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| Update Date | 2025-03-21 18:06:43 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00064830 |
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| Frequency | 47.4 |
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| Structure | |
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| Chemical Formula | C8H8O2S |
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| Molecular Mass | 168.0245 |
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| SMILES | CSC(=O)c1ccccc1O |
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| InChI Key | QAYRXLPAULKQKU-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 | salicylic acid and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsbenzenecarbothioic s-acidsbenzoyl derivativescarbodithioic acidscarbothioic s-acidscarbothioic s-esterscarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganooxygen compoundssulfenyl compoundsthiobenzoic acids and derivativesthioestersthiolactonesvinylogous acids |
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| Substituents | benzenecarbothioic s-acidbenzoyl1-hydroxy-2-unsubstituted benzenoidorganosulfur compoundcarboxylic acid derivativecarbothioic s-esterorganic oxidethiolactonethiobenzoic acid or derivativesthiocarboxylic acid or derivativessulfenyl compoundthiocarboxylic acid estercarbodithioic acid1-hydroxy-4-unsubstituted benzenoidcarbothioic s-acidaromatic homomonocyclic compoundvinylogous acidorganic oxygen compoundsalicylic acid or derivativesphenolhydrocarbon derivativeorganooxygen compound |
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