| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:29:57 UTC |
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| Update Date | 2025-03-21 18:41:23 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00133958 |
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| Frequency | 18.8 |
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| Structure | |
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| Chemical Formula | C9H10OS |
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| Molecular Mass | 166.0452 |
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| SMILES | CSC(=O)c1ccccc1C |
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| InChI Key | RXCUMWZVMPLRPT-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 derivativesthioestersthiolactonestoluenes |
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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 derivativetoluenethiolactonethiobenzoic acid or derivativesorganooxygen compound |
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