| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:03:01 UTC |
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| Update Date | 2025-03-25 00:54:42 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02208153 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H15NOS |
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| Molecular Mass | 209.0874 |
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| SMILES | CC(C)c1ccccc1SCC(N)=O |
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| InChI Key | RHCQZXFXYVLFJS-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 | cumenes |
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| Direct Parent | cumenes |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alkylarylthioetherscarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenylpropanesprimary carboxylic acid amidessulfenyl compoundsthiophenol ethersthiophenols |
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| Substituents | primary carboxylic acid amidecarbonyl groupsulfenyl compoundalkylarylthioetherorganosulfur compoundcarboxamide groupcarboxylic acid derivativearyl thioetherphenylpropanearomatic homomonocyclic compoundorganic oxidethiophenolorganic oxygen compoundthioetherthiophenol etherorganonitrogen compoundorganopnictogen compoundcumenehydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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