| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:37:01 UTC |
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| Update Date | 2025-03-25 00:45:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02148833 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H7NO3S |
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| Molecular Mass | 185.0147 |
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| SMILES | O=C1C=C2CSC(C(=O)O)C2N1 |
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| InChI Key | SZEQGOCMKGFPFF-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 | thiolanes |
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| Subclass | thiolanes |
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| Direct Parent | thiolanes |
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| Geometric Descriptor | aliphatic heteropolycyclic compounds |
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| Alternative Parents | azacyclic compoundscarbonyl compoundscarboxylic acidsdialkylthioethershydrocarbon derivativeslactamsmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrolinessecondary carboxylic acid amides |
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| Substituents | thiolanecarbonyl grouplactamcarboxylic acidazacycledialkylthioethercarboxamide groupcarboxylic acid derivativealiphatic heteropolycyclic compoundsecondary carboxylic acid amideorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundpyrrolinethioetherorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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