| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:22:21 UTC |
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| Update Date | 2025-03-25 01:01:55 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02252478 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H15NO3S |
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| Molecular Mass | 277.0773 |
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| SMILES | NCCS(=O)(=O)c1ccc(-c2ccc(O)cc2)cc1 |
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| InChI Key | RFBDZGUXWACEEQ-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 | benzenesulfonyl compounds |
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| Direct Parent | benzenesulfonyl compounds |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidshydrocarbon derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundssulfones |
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| Substituents | 1-hydroxy-2-unsubstituted benzenoidorganosulfur compoundaromatic homomonocyclic compoundorganic oxidesulfonylorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundphenolhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundsulfonebenzenesulfonyl group |
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