| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:13:01 UTC |
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| Update Date | 2025-03-25 00:58:29 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02231031 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H17NO3S2 |
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| Molecular Mass | 287.065 |
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| SMILES | CCN(CC)C(=S)S(=O)(=O)Cc1ccc(O)cc1 |
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| InChI Key | ZPJCUBQSGOAQKI-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 | phenols |
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| Subclass | 1-hydroxy-2-unsubstituted benzenoids |
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| Direct Parent | 1-hydroxy-2-unsubstituted benzenoids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | benzene and substituted derivativeshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundssulfones |
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| Substituents | monocyclic benzene moiety1-hydroxy-2-unsubstituted benzenoidorganosulfur compoundaromatic homomonocyclic compoundorganic oxidesulfonylorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundsulfone |
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