| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:11:33 UTC |
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| Update Date | 2025-03-25 00:57:58 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02227821 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H13NOS |
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| Molecular Mass | 231.0718 |
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| SMILES | CC(=O)C1=NCC(=Cc2ccc(C)cc2)S1 |
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| InChI Key | MAJRYOGXDCLALT-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 | azacyclic compoundshydrocarbon derivativesketonesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundsthiazolines |
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| Substituents | carbonyl groupmeta-thiazolinearomatic heteromonocyclic compoundazacycleorganic 1,3-dipolar compoundpropargyl-type 1,3-dipolar organic compoundketoneorganic oxideorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundtolueneorganoheterocyclic compoundorganooxygen compound |
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