| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:44:51 UTC |
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| Update Date | 2025-03-25 00:48:12 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02166732 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H19NO2S |
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| Molecular Mass | 289.1136 |
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| SMILES | CC(=O)NCCSCc1ccc(-c2ccc(C)cc2)o1 |
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| InChI Key | JTOTUQWNVOABGB-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 | toluenes |
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| Direct Parent | toluenes |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | acetamidescarbonyl compoundscarboxylic acids and derivativesdialkylthioethersfuransheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundssecondary carboxylic acid amidessulfenyl compounds |
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| Substituents | furancarbonyl grouparomatic heteromonocyclic compoundorganosulfur compoundcarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundacetamidesulfenyl compounddialkylthioetherheteroaromatic compoundcarboxamide groupoxacyclesecondary carboxylic acid amideorganic oxygen compoundthioetherhydrocarbon derivativeorganic nitrogen compoundtolueneorganooxygen compound |
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