| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:17:33 UTC |
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| Update Date | 2025-03-25 01:00:10 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02241379 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H13NOS |
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| Molecular Mass | 207.0718 |
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| SMILES | CC(O)(C1=NCCS1)c1ccccc1 |
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| InChI Key | QWFSRMJBYUMWLM-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 | benzene and substituted derivatives |
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| Direct Parent | benzene and substituted derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | aromatic alcoholsazacyclic compoundshydrocarbon derivativesorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundstertiary alcoholsthiazolines |
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| Substituents | aromatic alcoholalcoholmonocyclic benzene moietymeta-thiazolinearomatic heteromonocyclic compoundazacycleorganic 1,3-dipolar compoundpropargyl-type 1,3-dipolar organic compoundtertiary alcoholorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganoheterocyclic compoundorganooxygen compound |
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