| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:21:13 UTC |
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| Update Date | 2025-03-25 01:01:31 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02249902 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H18N2O2S |
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| Molecular Mass | 254.1089 |
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| SMILES | CS(=O)CCCCN=C(O)c1ccccc1N |
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| InChI Key | BWKSWDOVOWUFTA-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 oxidesorganooxygen compoundsorganopnictogen compoundsprimary aminespropargyl-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 derivativeprimary amineorganic nitrogen compoundamineorganooxygen compound |
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