| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:40:12 UTC |
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| Update Date | 2025-03-25 00:46:37 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02156262 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H9NO2S |
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| Molecular Mass | 171.0354 |
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| SMILES | CC(=O)C1=CC(=O)C(N)CS1 |
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| InChI Key | YQKWCMPRIZVXHG-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | thiopyrans |
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| Subclass | thiopyrans |
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| Direct Parent | thiopyrans |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | cyclic ketoneshydrocarbon derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsthioenol ethersvinylogous thioesters |
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| Substituents | vinylogous thioestercarbonyl groupcyclic ketonethiopyranketoneorganic oxidethioenoletherorganic oxygen compoundaliphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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