| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:52:32 UTC |
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| Update Date | 2025-03-25 00:51:00 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02184221 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H13N3OS |
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| Molecular Mass | 223.0779 |
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| SMILES | NC(=S)NCCC(=O)c1ccc(N)cc1 |
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| InChI Key | SHEFUVUWLQRAMQ-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | carbonyl compounds |
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| Direct Parent | alkyl-phenylketones |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | aryl alkyl ketonesbenzoyl derivativeshydrocarbon derivativesorganic oxidesorganooxygen compoundsorganopnictogen compoundsprimary aminesthioureas |
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| Substituents | monocyclic benzene moietythioureaaryl alkyl ketonebenzoylorganosulfur compoundaromatic homomonocyclic compoundorganic oxideorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidprimary amineorganic nitrogen compoundaminealkyl-phenylketone |
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