| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:46:03 UTC |
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| Update Date | 2025-03-25 00:48:39 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02169397 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H16OS |
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| Molecular Mass | 208.0922 |
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| SMILES | CCCCCSC(=O)c1ccccc1 |
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| InChI Key | XIUYWLWVHVKUDS-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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