| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:12:11 UTC |
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| Update Date | 2025-03-21 18:32:30 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00091212 |
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| Frequency | 30.8 |
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| Structure | |
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| Chemical Formula | C14H18N2O2S |
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| Molecular Mass | 278.1089 |
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| SMILES | CSCCC1N=C(O)C(Cc2ccccc2)N=C1O |
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| InChI Key | HHWPNWJXRZDOJS-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 | azacyclic compoundscyclic carboximidic acidsdialkylthioethershydrocarbon derivativesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundssulfenyl compounds |
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| Substituents | monocyclic benzene moietysulfenyl compoundaromatic heteromonocyclic compoundazacycledialkylthioetherorganic 1,3-dipolar compoundorganosulfur compoundpropargyl-type 1,3-dipolar organic compoundorganic oxygen compoundthioetherorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundcyclic carboximidic acidorganoheterocyclic compoundorganooxygen compound |
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