| Record Information |
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| HMDB Status | expected |
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| Creation Date | 2024-02-20 23:43:03 UTC |
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| Update Date | 2025-03-21 17:59:37 UTC |
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| HMDB ID | HMDB0029694 |
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| Metabolite Identification |
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| DeepMet ID | DMID00022156 |
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| Name | S-Methyl benzenecarbothioate |
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| Frequency | 179.4 |
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| Structure | |
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| Chemical Formula | C8H8OS |
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| Molecular Mass | 152.0296 |
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| SMILES | CSC(=O)c1ccccc1 |
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| InChI Key | RQVWTMCUTHKGCM-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 | benzenecarbothioic s-acids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | benzoyl derivativescarbodithioic acidscarbothioic s-acidscarbothioic s-esterscarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganooxygen compoundssulfenyl compoundsthiobenzoic acids and derivativesthioestersthiolactones |
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| Substituents | thiocarboxylic acid or derivativesbenzenecarbothioic s-acidsulfenyl compoundthiocarboxylic acid esterbenzoylcarbodithioic acidorganosulfur compoundcarboxylic acid derivativecarbothioic s-acidcarbothioic s-esteraromatic homomonocyclic compoundorganic oxideorganic oxygen compoundhydrocarbon derivativethiolactonethiobenzoic acid or derivativesorganooxygen compound |
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