| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:11:10 UTC |
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| Update Date | 2025-03-21 18:32:00 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00088772 |
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| Frequency | 31.9 |
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| Structure | |
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| Chemical Formula | C12H17NO2S |
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| Molecular Mass | 239.098 |
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| SMILES | CS(=O)CCCCN=C(O)c1ccccc1 |
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| InChI Key | AAQWJIKKOTYBNT-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 homomonocyclic compounds |
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| Alternative Parents | carboximidic acidshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundssulfinyl compoundssulfoxides |
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| Substituents | carboximidic acidmonocyclic benzene moietyorganic 1,3-dipolar compoundorganosulfur compoundpropargyl-type 1,3-dipolar organic compoundaromatic homomonocyclic compoundorganic oxideorganic oxygen compoundsulfinyl compoundorganonitrogen compoundsulfoxideorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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