| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:15:19 UTC |
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| Update Date | 2025-03-21 18:34:02 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00098843 |
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| Frequency | 27.8 |
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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)c1ccc(O)cc1 |
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| InChI Key | ITEQFAGBCFCKDM-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 | 1-hydroxy-2-unsubstituted benzenoidsbenzoyl 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 esterbenzoyl1-hydroxy-2-unsubstituted benzenoidcarbodithioic acidorganosulfur compoundcarboxylic acid derivativecarbothioic s-acidcarbothioic s-esteraromatic homomonocyclic compoundorganic oxideorganic oxygen compoundphenolhydrocarbon derivativethiolactonethiobenzoic acid or derivativesorganooxygen compound |
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