| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:11:02 UTC |
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| Update Date | 2025-03-21 18:31:57 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00088499 |
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| Frequency | 32.0 |
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| Structure | |
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| Chemical Formula | C9H11NOS |
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| Molecular Mass | 181.0561 |
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| SMILES | NCCSC(=O)c1ccccc1 |
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| InChI Key | RXAXEXYDIIGAFS-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 derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundssulfenyl compoundsthiobenzoic acids and derivativesthioestersthiolactones |
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| Substituents | benzenecarbothioic s-acidbenzoylorganosulfur compoundcarboxylic acid derivativecarbothioic s-esterorganic oxideorganonitrogen compoundorganopnictogen compoundthiolactonethiobenzoic acid or derivativesthiocarboxylic acid or derivativessulfenyl compoundthiocarboxylic acid estercarbodithioic acidcarbothioic s-acidaromatic homomonocyclic compoundorganic oxygen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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